CID 3240794

3-(2-oxopyrrolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10-5-2-6-12(10)9-4-1-3-8(7-9)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKey
QESXXFDZRITHKE-UHFFFAOYSA-N
Compound name
3-(2-oxopyrrolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

69
Patents

205.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe