CID 117979320

2060024-96-4

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CCOC(=O)C1=C(C=CN=C1CCl)C

InChI

InChI=1S/C10H12ClNO2/c1-3-14-10(13)9-7(2)4-5-12-8(9)6-11/h4-5H,3,6H2,1-2H3

InChIKey

CWBKMOUAFFCXKG-UHFFFAOYSA-N

Compound name

ethyl 2-(chloromethyl)-4-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 213.05565 Da
Monoisotopic Mass: 1.9
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]+	214.06293	143.4
[M+Na]+	236.04487	157.3
[M+NH4]+	231.08947	151.4
[M+K]+	252.01881	150.6
[M-H]-	212.04837	144.6
[M+Na-2H]-	234.03032	149.8
[M]+	213.05510	146.0
[M]-	213.05620	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe