8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, exo-
- Formula: C8H15NO
- Molecular weight: 141.2108
- IUPAC Standard InChI: InChI=1S/C9H17NO/c1-9(11)5-7-3-4-8(6-9)10(7)2/h7-8,11H,3-6H2,1-2H3
- IUPAC Standard InChIKey: CELYWWIEPXTVDS-UHFFFAOYSA-N
- CAS Registry Number: 135-97-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Pseudotropanol; Pseudotropine; 1αH,5αH-Tropan-3β-ol; 3β-Tropanol; 3-Pseudotropanol; exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 7.9 ± 0.15 | EI | Grutzmacher and Lange, 1978 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C8H14N+ | 10.7 ± 0.3 | OH | EI | Grutzmacher and Lange, 1978 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1233.7 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1185. | Zayed and Wink, 2004 | He, 120. C @ 3. min, 8. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
| Capillary | DB-1 | 1185. | Tofern, Kaloga, et al., 1999 | He, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 70. C; Tend: 300. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Grutzmacher and Lange, 1978
Grutzmacher, H.-F.; Lange, G.,
Untersuchungen zur synchronen oder zweistufigen Fragmentierung der Molekul-Ionen von 3-substituierten Tropanen,
Chem. Ber., 1978, 111, 1962. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Zayed and Wink, 2004
Zayed, R.; Wink, M.,
Induction of tropane alkaloid formation in transformed root cultures of Brugmansia suaveolens (Solanaceae),
Z. Naturforsch. C:, 2004, 59, 11-12, 863-867. [all data]
Tofern, Kaloga, et al., 1999
Tofern, B.; Kaloga, M.; Witte, L.; Hartmann, T.; Eich, E.,
Occurrence of loline alkaloids in Argyreia mollis (Convolvulaceae),
Phytochemistry, 1999, 51, 8, 1177-1180, https://doi.org/10.1016/S0031-9422(99)00121-1
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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