CID 46221418

31163-12-9

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CCOC(=O)C1=C(N=C(C=C1)Cl)C

InChI

InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-5-8(10)11-6(7)2/h4-5H,3H2,1-2H3

InChIKey

CRQYVOKBIGDOGA-UHFFFAOYSA-N

Compound name

ethyl 6-chloro-2-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 199.04001 Da
Monoisotopic Mass: 2.4
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	137.8
[M+Na]+	222.02923	148.0
[M-H]-	198.03273	140.6
[M+NH4]+	217.07383	157.2
[M+K]+	238.00317	145.0
[M+H-H2O]+	182.03727	132.4
[M+HCOO]-	244.03821	156.2
[M+CH3COO]-	258.05386	183.4
[M+Na-2H]-	220.01468	143.2
[M]+	199.03946	142.5
[M]-	199.04056	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe