CID 12827793

2-(chloromethyl)-3-methylpyrazine hydrochloride

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=NC=CN=C1CCl
InChI
InChI=1S/C6H7ClN2/c1-5-6(4-7)9-3-2-8-5/h2-3H,4H2,1H3
InChIKey
HQYGCYJUSJWSBU-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

142.02977 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 124.6
[M+Na]+ 165.01899 139.9
[M+NH4]+ 160.06359 133.9
[M+K]+ 180.99293 132.3
[M-H]- 141.02249 126.4
[M+Na-2H]- 163.00444 133.2
[M]+ 142.02922 127.6
[M]- 142.03032 127.6
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

patents stripe