CID 100930

Pyrazine, 2-[(methylthio)methyl]-

Structural Information

Molecular Formula
C6H8N2S
SMILES
CSCC1=NC=CN=C1
InChI
InChI=1S/C6H8N2S/c1-9-5-6-4-7-2-3-8-6/h2-4H,5H2,1H3
InChIKey
PNGHTEYYARFCTE-UHFFFAOYSA-N
Compound name
2-(methylsulfanylmethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

220
Patents

140.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 124.5
[M+Na]+ 163.030038 133.8
[M-H]- 139.033544 125.9
[M+NH4]+ 158.074643 144.3
[M+K]+ 179.003978 131.5
[M+H-H2O]+ 123.038080 117.9
[M+HCOO]- 185.039021 142.3
[M+CH3COO]- 199.054671 171.7
[M+Na-2H]- 161.015486 130.8
[M]+ 140.04027142 126.5
[M]- 140.04136858 126.5
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