CID 3243387

87341-46-6

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₃

SMILES

C1CC(=O)N(C1C(=O)O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C12H12ClNO3/c13-9-4-2-1-3-8(9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)

InChIKey

KSINVMMDBYSEMQ-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 25
Patents: 253.05057 Da
Monoisotopic Mass: 1.5
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]+	254.05785	153.5
[M+Na]+	276.03979	165.4
[M+NH4]+	271.08439	160.7
[M+K]+	292.01373	161.4
[M-H]-	252.04329	154.9
[M+Na-2H]-	274.02524	158.5
[M]+	253.05002	155.6
[M]-	253.05112	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe