CID 15464715

35305-74-9

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]+ 189.086986 141.4
[M+Na]+ 211.068928 146.0
[M-H]- 187.072434 139.7
[M+NH4]+ 206.113533 159.0
[M+K]+ 227.042868 146.3
[M+H-H2O]+ 171.076970 135.7
[M+HCOO]- 233.077911 162.3
[M+CH3COO]- 247.093561 184.7
[M+Na-2H]- 209.054376 141.6
[M]+ 188.07916142 139.3
[M]- 188.08025858 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

No patent data available for this compound.