CID 72810364

1026093-70-8

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

C1C(C(NC1=O)C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClNO3/c12-7-3-1-6(2-4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)

InChIKey

SZOMBCQXORQIFV-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 239.03493 Da
Monoisotopic Mass: 1.3
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]+	240.042206	149.7
[M+Na]+	262.024148	158.2
[M-H]-	238.027654	152.7
[M+NH4]+	257.068753	167.2
[M+K]+	277.998088	152.8
[M+H-H2O]+	222.032190	144.1
[M+HCOO]-	284.033131	164.0
[M+CH3COO]-	298.048781	183.8
[M+Na-2H]-	260.009596	150.2
[M]+	239.03438142	147.9
[M]-	239.03547858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe