CID 29908573

(2s)-3-hydroxy-2-(2-methylpropanamido)propanoic acid

Structural Information

Molecular Formula
C7H13NO4
SMILES
CC(C)C(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C7H13NO4/c1-4(2)6(10)8-5(3-9)7(11)12/h4-5,9H,3H2,1-2H3,(H,8,10)(H,11,12)/t5-/m0/s1
InChIKey
QSEFPFCSTSMYJB-YFKPBYRVSA-N
Compound name
(2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

175.08446 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.9
[M+Na]+ 198.07368 143.5
[M-H]- 174.07718 136.3
[M+NH4]+ 193.11828 157.0
[M+K]+ 214.04762 143.9
[M+H-H2O]+ 158.08172 133.9
[M+HCOO]- 220.08266 157.7
[M+CH3COO]- 234.09831 179.2
[M+Na-2H]- 196.05913 139.4
[M]+ 175.08391 137.5
[M]- 175.08501 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe