CID 14479914

94452-59-2

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

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

InChI

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

InChIKey

OBXBULSBVVGPSM-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4-methoxy-5-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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]+	172.05237	131.8
[M+Na]+	194.03431	146.9
[M+NH4]+	189.07891	141.1
[M+K]+	210.00825	139.4
[M-H]-	170.03781	134.1
[M+Na-2H]-	192.01976	139.8
[M]+	171.04454	135.0
[M]-	171.04564	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe