CID 7130676

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

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC(=O)N(C1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10-6-3-7-12(10)9-5-2-1-4-8(9)11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)
InChIKey
WMLRBQWYIZGVMF-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 142.8
[M+Na]+ 228.06312 150.1
[M-H]- 204.06662 147.0
[M+NH4]+ 223.10772 161.3
[M+K]+ 244.03706 147.5
[M+H-H2O]+ 188.07116 136.1
[M+HCOO]- 250.07210 163.3
[M+CH3COO]- 264.08775 181.2
[M+Na-2H]- 226.04857 145.0
[M]+ 205.07335 140.4
[M]- 205.07445 140.4
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