CID 64983125

2-(chloromethyl)-6-methoxypyrazine hydrochloride

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

COC1=NC(=CN=C1)CCl

InChI

InChI=1S/C6H7ClN2O/c1-10-6-4-8-3-5(2-7)9-6/h3-4H,2H2,1H3

InChIKey

CUOBMFQXBQHUFA-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-6-methoxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.02469 Da
Monoisotopic Mass: 1.3
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]+	159.031966	127.0
[M+Na]+	181.013908	137.4
[M-H]-	157.017414	128.1
[M+NH4]+	176.058513	146.3
[M+K]+	196.987848	134.6
[M+H-H2O]+	141.021950	120.7
[M+HCOO]-	203.022891	145.5
[M+CH3COO]-	217.038541	174.7
[M+Na-2H]-	178.999356	135.8
[M]+	158.02414142	130.4
[M]-	158.02523858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.