CID 773130

36151-44-7

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15)

InChIKey

YDKWTEYRNMUJKC-UHFFFAOYSA-N

Compound name

4-(2-oxopyrrolidin-1-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 120
Patents: 205.0739 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.08118	144.6
[M+Na]+	228.06312	155.5
[M+NH4]+	223.10772	151.7
[M+K]+	244.03706	152.4
[M-H]-	204.06662	146.0
[M+Na-2H]-	226.04857	149.9
[M]+	205.07335	146.2
[M]-	205.07445	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe