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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 127.0
[M+Na]+ 181.01391 137.4
[M-H]- 157.01741 128.1
[M+NH4]+ 176.05851 146.3
[M+K]+ 196.98785 134.6
[M+H-H2O]+ 141.02195 120.7
[M+HCOO]- 203.02289 145.5
[M+CH3COO]- 217.03854 174.7
[M+Na-2H]- 178.99936 135.8
[M]+ 158.02414 130.4
[M]- 158.02524 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.