CID 4122939

618070-35-2

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

C1CN(C(=O)C1C(=O)O)C2=CC(=CC=C2)Cl

InChI

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

InChIKey

KDULWPXRFVQNQN-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 239.03493 Da
Monoisotopic Mass: 2.3
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	149.1
[M+Na]+	262.024148	158.1
[M-H]-	238.027654	153.5
[M+NH4]+	257.068753	167.4
[M+K]+	277.998088	153.6
[M+H-H2O]+	222.032190	143.2
[M+HCOO]-	284.033131	165.0
[M+CH3COO]-	298.048781	186.2
[M+Na-2H]-	260.009596	150.1
[M]+	239.03438142	149.1
[M]-	239.03547858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe