CID 15464715

(s)-5-acetamido-2-amino-5-oxopentanoic acid

Structural Information

Molecular Formula
C7H12N2O4
SMILES
CC(=O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H12N2O4/c1-4(10)9-6(11)3-2-5(8)7(12)13/h5H,2-3,8H2,1H3,(H,12,13)(H,9,10,11)/t5-/m0/s1
InChIKey
SGKPDOQKJBOJTE-YFKPBYRVSA-N
Compound name
(2S)-5-acetamido-2-amino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

188.07971 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08699 141.4
[M+Na]+ 211.06893 146.0
[M-H]- 187.07243 139.7
[M+NH4]+ 206.11353 159.0
[M+K]+ 227.04287 146.3
[M+H-H2O]+ 171.07697 135.7
[M+HCOO]- 233.07791 162.3
[M+CH3COO]- 247.09356 184.7
[M+Na-2H]- 209.05438 141.6
[M]+ 188.07916 139.3
[M]- 188.08026 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe