CID 10856486

143209-97-6

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

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

InChI

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

InChIKey

DDSXZUMDYFPVEP-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-2-(methylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 199.04001 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]+	200.04729	139.7
[M+Na]+	222.02923	147.2
[M-H]-	198.03273	142.1
[M+NH4]+	217.07383	158.8
[M+K]+	238.00317	143.7
[M+H-H2O]+	182.03727	135.0
[M+HCOO]-	244.03821	157.9
[M+CH3COO]-	258.05386	183.4
[M+Na-2H]-	220.01468	144.0
[M]+	199.03946	140.3
[M]-	199.04056	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe