CID 22727099

Ethyl 4-chloro-6-methylpyridine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CCOC(=O)C1=NC(=CC(=C1)Cl)C

InChI

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

InChIKey

JGEIWLQNEUAPQK-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-6-methylpyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	138.8
[M+Na]+	222.02923	153.0
[M+NH4]+	217.07383	147.0
[M+K]+	238.00317	146.5
[M-H]-	198.03273	140.1
[M+Na-2H]-	220.01468	145.5
[M]+	199.03946	141.5
[M]-	199.04056	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe