CID 13449093

1355215-51-8

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CC1=CC(=NC=C1CCl)OC

InChI

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

InChIKey

LQOSCJVJSJJGLA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.04509 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]+	172.05237	131.5
[M+Na]+	194.03431	142.0
[M-H]-	170.03781	134.2
[M+NH4]+	189.07891	152.0
[M+K]+	210.00825	138.9
[M+H-H2O]+	154.04235	126.2
[M+HCOO]-	216.04329	150.7
[M+CH3COO]-	230.05894	179.1
[M+Na-2H]-	192.01976	138.5
[M]+	171.04454	135.6
[M]-	171.04564	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.