CID 76152

2-methyl-3-(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
5
Annotation Hits

1
References

333
Patents

140.04082 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 126.4
[M+Na]+ 163.03004 140.4
[M+NH4]+ 158.07464 135.9
[M+K]+ 179.00398 131.6
[M-H]- 139.03354 128.6
[M+Na-2H]- 161.01549 133.8
[M]+ 140.04027 129.6
[M]- 140.04137 129.6
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

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