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: 3
Patents: 205.0739 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.08118	143.5
[M+Na]+	228.06312	150.4
[M-H]-	204.06662	146.3
[M+NH4]+	223.10772	161.3
[M+K]+	244.03706	146.8
[M+H-H2O]+	188.07116	137.0
[M+HCOO]-	250.07210	162.5
[M+CH3COO]-	264.08775	178.8
[M+Na-2H]-	226.04857	145.2
[M]+	205.07335	139.3
[M]-	205.07445	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe