CID 3025899

2-(allylthio)pyrazine

Structural Information

Molecular Formula
C7H8N2S
SMILES
C=CCSC1=NC=CN=C1
InChI
InChI=1S/C7H8N2S/c1-2-5-10-7-6-8-3-4-9-7/h2-4,6H,1,5H2
InChIKey
ZYBMMXTUPCNGBL-UHFFFAOYSA-N
Compound name
2-prop-2-enylsulfanylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

24
Patents

152.04082 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 128.1
[M+Na]+ 175.03004 137.3
[M-H]- 151.03354 129.3
[M+NH4]+ 170.07464 147.3
[M+K]+ 191.00398 134.1
[M+H-H2O]+ 135.03808 121.3
[M+HCOO]- 197.03902 145.8
[M+CH3COO]- 211.05467 173.8
[M+Na-2H]- 173.01549 133.9
[M]+ 152.04027 129.7
[M]- 152.04137 129.7
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