CID 11571972

213018-92-9

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

COC(=O)C(C1=CC=CC=C1Cl)N

InChI

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

InChIKey

UTWOZNRDJNWTPS-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(2-chlorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 180
Patents: 199.04001 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]+	200.04729	139.6
[M+Na]+	222.02923	151.7
[M+NH4]+	217.07383	147.8
[M+K]+	238.00317	146.1
[M-H]-	198.03273	141.5
[M+Na-2H]-	220.01468	145.8
[M]+	199.03946	142.0
[M]-	199.04056	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe