CID 2836868

2-oxo-4-phenylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C(C(C(=O)N1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c13-10-9(11(14)15)8(6-12-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)
InChIKey
UOQRZCNCICUPJO-UHFFFAOYSA-N
Compound name
2-oxo-4-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

90
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 143.5
[M+Na]+ 228.063118 150.4
[M-H]- 204.066624 146.3
[M+NH4]+ 223.107723 161.3
[M+K]+ 244.037058 146.8
[M+H-H2O]+ 188.071160 137.0
[M+HCOO]- 250.072101 162.5
[M+CH3COO]- 264.087751 178.8
[M+Na-2H]- 226.048566 145.2
[M]+ 205.07335142 139.3
[M]- 205.07444858 139.3
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