CID 76152

Methyl(methylthio)pyrazine

Structural Information

Molecular Formula
C6H8N2S
SMILES
CC1=NC=CN=C1SC
InChI
InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
InChIKey
PPPFFGVGWFKTHX-UHFFFAOYSA-N
Compound name
2-methyl-3-methylsulfanylpyrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

295
Patents

140.04082 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 124.3
[M+Na]+ 163.030038 134.5
[M-H]- 139.033544 126.0
[M+NH4]+ 158.074643 144.4
[M+K]+ 179.003978 132.2
[M+H-H2O]+ 123.038080 118.0
[M+HCOO]- 185.039021 142.1
[M+CH3COO]- 199.054671 172.7
[M+Na-2H]- 161.015486 129.9
[M]+ 140.04027142 126.7
[M]- 140.04136858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe