CID 4962839

848316-24-5

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]+ 263.102646 157.4
[M+Na]+ 285.084588 162.7
[M-H]- 261.088094 161.3
[M+NH4]+ 280.129193 173.0
[M+K]+ 301.058528 160.2
[M+H-H2O]+ 245.092630 149.9
[M+HCOO]- 307.093571 177.7
[M+CH3COO]- 321.109221 194.0
[M+Na-2H]- 283.070036 158.0
[M]+ 262.09482142 155.1
[M]- 262.09591858 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.