CID 23037961

2-[(4-chlorophenyl)(methyl)amino]acetic acid

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CN(CC(=O)O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H10ClNO2/c1-11(6-9(12)13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)

InChIKey

NMGRUQGFLZQQKA-UHFFFAOYSA-N

Compound name

2-(4-chloro-N-methylanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 199.04001 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]+	200.04729	139.2
[M+Na]+	222.02923	147.2
[M-H]-	198.03273	143.1
[M+NH4]+	217.07383	159.1
[M+K]+	238.00317	144.6
[M+H-H2O]+	182.03727	134.3
[M+HCOO]-	244.03821	159.0
[M+CH3COO]-	258.05386	186.0
[M+Na-2H]-	220.01468	144.1
[M]+	199.03946	141.7
[M]-	199.04056	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe