CID 5307343

Mls000120687

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C(C(NC1=O)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c13-9-6-8(10(12-9)11(14)15)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,12,13)(H,14,15)
InChIKey
VJHDVBWGNFOKAT-UHFFFAOYSA-N
Compound name
5-oxo-3-phenylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

205.0739 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe