CID 100930

59021-03-3

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

213
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 126.2
[M+Na]+ 163.03004 139.8
[M+NH4]+ 158.07464 135.6
[M+K]+ 179.00398 130.8
[M-H]- 139.03354 128.3
[M+Na-2H]- 161.01549 133.8
[M]+ 140.04027 129.2
[M]- 140.04137 129.2
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