CID 126804612

4-(5-oxopyrrolidin-2-yl)benzoic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC(=O)NC1C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10-6-5-9(12-10)7-1-3-8(4-2-7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15)
InChIKey
LAFPNIUVRIVWTD-UHFFFAOYSA-N
Compound name
4-(5-oxopyrrolidin-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 145.1
[M+Na]+ 228.06312 155.4
[M+NH4]+ 223.10772 151.8
[M+K]+ 244.03706 152.6
[M-H]- 204.06662 145.9
[M+Na-2H]- 226.04857 149.7
[M]+ 205.07335 146.4
[M]- 205.07445 146.4
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.