CID 19987192

2243512-09-4

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CC1=NC(=C(C=C1)OC)CCl

InChI

InChI=1S/C8H10ClNO/c1-6-3-4-8(11-2)7(5-9)10-6/h3-4H,5H2,1-2H3

InChIKey

WJFGJKMVPPHOAO-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-3-methoxy-6-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 171.04509 Da
Monoisotopic Mass: 1.6
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]+	172.052366	131.5
[M+Na]+	194.034308	142.0
[M-H]-	170.037814	134.2
[M+NH4]+	189.078913	152.0
[M+K]+	210.008248	138.9
[M+H-H2O]+	154.042350	126.2
[M+HCOO]-	216.043291	150.7
[M+CH3COO]-	230.058941	179.1
[M+Na-2H]-	192.019756	138.5
[M]+	171.04454142	135.6
[M]-	171.04563858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe