CID 2737107

5-oxo-1-phenylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C(CN(C1=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKey
GHTSPNBSVDWGED-UHFFFAOYSA-N
Compound name
5-oxo-1-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

225
Patents

205.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.8
[M+Na]+ 228.063118 150.1
[M-H]- 204.066624 147.0
[M+NH4]+ 223.107723 161.3
[M+K]+ 244.037058 147.5
[M+H-H2O]+ 188.071160 136.1
[M+HCOO]- 250.072101 163.3
[M+CH3COO]- 264.087751 181.2
[M+Na-2H]- 226.048566 145.0
[M]+ 205.07335142 140.4
[M]- 205.07444858 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