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

218
Patents

140.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 124.5
[M+Na]+ 163.03004 133.8
[M-H]- 139.03354 125.9
[M+NH4]+ 158.07464 144.3
[M+K]+ 179.00398 131.5
[M+H-H2O]+ 123.03808 117.9
[M+HCOO]- 185.03902 142.3
[M+CH3COO]- 199.05467 171.7
[M+Na-2H]- 161.01549 130.8
[M]+ 140.04027 126.5
[M]- 140.04137 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