CID 23446878

Methyl 2-amino-6-chloro-3-methylbenzoate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CC1=C(C(=C(C=C1)Cl)C(=O)OC)N

InChI

InChI=1S/C9H10ClNO2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3

InChIKey

CDGMLDXXIMVYLO-UHFFFAOYSA-N

Compound name

methyl 2-amino-6-chloro-3-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 199.04001 Da
Monoisotopic Mass: 2.6
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	138.9
[M+Na]+	222.02923	152.0
[M+NH4]+	217.07383	147.2
[M+K]+	238.00317	146.1
[M-H]-	198.03273	141.1
[M+Na-2H]-	220.01468	145.0
[M]+	199.03946	141.6
[M]-	199.04056	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe