CID 14751740

2-(chloromethyl)-5-ethoxypyridine hydrochloride

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CCOC1=CN=C(C=C1)CCl

InChI

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

InChIKey

OAEDWUPZIBOQMF-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-5-ethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	132.0
[M+Na]+	194.03431	141.5
[M-H]-	170.03781	134.2
[M+NH4]+	189.07891	152.2
[M+K]+	210.00825	138.4
[M+H-H2O]+	154.04235	126.3
[M+HCOO]-	216.04329	151.2
[M+CH3COO]-	230.05894	178.0
[M+Na-2H]-	192.01976	139.7
[M]+	171.04454	135.7
[M]-	171.04564	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe