CID 4962839

2-{[4-(2-oxopyrrolidin-1-yl)phenyl]formamido}acetic acid

Structural Information

Molecular Formula
C13H14N2O4
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC(=O)O
InChI
InChI=1S/C13H14N2O4/c16-11-2-1-7-15(11)10-5-3-9(4-6-10)13(19)14-8-12(17)18/h3-6H,1-2,7-8H2,(H,14,19)(H,17,18)
InChIKey
HBZGBAJPFYGVRN-UHFFFAOYSA-N
Compound name
2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 157.4
[M+Na]+ 285.08459 162.7
[M-H]- 261.08809 161.3
[M+NH4]+ 280.12919 173.0
[M+K]+ 301.05853 160.2
[M+H-H2O]+ 245.09263 149.9
[M+HCOO]- 307.09357 177.7
[M+CH3COO]- 321.10922 194.0
[M+Na-2H]- 283.07004 158.0
[M]+ 262.09482 155.1
[M]- 262.09592 155.1
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

No patent data available for this compound.