Alanine anion
- Formula: C3H6NO2-
- Molecular weight: 88.0858
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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: John E. Bartmess
Electron affinity of neutral species
EAneutral (eV) | Method | Reference | Comment |
---|---|---|---|
3.68 ± 0.15 | D-EA | Jones, Bernier, et al., 2007 |
Protonation reactions
By formula: C3H6NO2- + H+ = C3H7NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 341.8 ± 1.9 | kcal/mol | CIDC | Jones, Bernier, et al., 2007 | gas phase |
ΔrH° | 340.7 ± 2.1 | kcal/mol | G+TS | Locke and McIver, 1983 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 334.8 ± 2.0 | kcal/mol | H-TS | Jones, Bernier, et al., 2007 | gas phase |
ΔrG° | 333.7 ± 2.0 | kcal/mol | IMRE | Locke and McIver, 1983 | gas phase |
Ion clustering 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
C3H6NO2- + = C3H8NO3-
By formula: C3H6NO2- + H2O = C3H8NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 ± 0.40 | kcal/mol | N/A | Wincel, 2008 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.80 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jones, Bernier, et al., 2007
Jones, C.M.; Bernier, M.; Carson, E.; Colyer, K.E.; Metz, R.; Pawlow, A.; Wischow, E.D.; Webb, I.; Andriole, E.J.; Poutsma, J.C.,
Gas-phase Acities of the 20 Protein Amino Acids,
Int. J. Mass Spectrom., 2007, 267, 1-3, 54-62, https://doi.org/10.1016/j.ijms.2007.02.018
. [all data]
Locke and McIver, 1983
Locke, M.J.; McIver, R.T., Jr.,
Effect of Solvation on the Acid/Base Properties of Glycine,
J. Am. Chem. Soc., 1983, 105, 4226. [all data]
Wincel, 2008
Wincel, H.,
Hydration energies of deprotonated amino acids from gas phase equilibria measurements,
J. Am. Soc. Mass Spectrom., 2008, 19, 8, 1091-1097, https://doi.org/10.1016/j.jasms.2008.05.014
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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