CID 3153801

133749-16-3

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C13H14N2O4/c1-8(16)14-10-2-4-11(5-3-10)15-7-9(13(18)19)6-12(15)17/h2-5,9H,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKey
CMQAUGMSLZEXFP-UHFFFAOYSA-N
Compound name
1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

262.09537 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 157.2
[M+Na]+ 285.08459 163.4
[M-H]- 261.08809 161.5
[M+NH4]+ 280.12919 173.0
[M+K]+ 301.05853 160.9
[M+H-H2O]+ 245.09263 150.0
[M+HCOO]- 307.09357 177.4
[M+CH3COO]- 321.10922 195.3
[M+Na-2H]- 283.07004 157.1
[M]+ 262.09482 155.2
[M]- 262.09592 155.2
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