CID 3005932

124991-69-1

Structural Information

Molecular Formula
C6H6N6S
SMILES
C1=CN=C(C=N1)C2=NNC(=S)N2N
InChI
InChI=1S/C6H6N6S/c7-12-5(10-11-6(12)13)4-3-8-1-2-9-4/h1-3H,7H2,(H,11,13)
InChIKey
WOWJJHXUUVZDBE-UHFFFAOYSA-N
Compound name
4-amino-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

194.03746 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04474 138.5
[M+Na]+ 217.02668 150.7
[M-H]- 193.03018 138.5
[M+NH4]+ 212.07128 152.9
[M+K]+ 233.00062 144.8
[M+H-H2O]+ 177.03472 130.3
[M+HCOO]- 239.03566 154.0
[M+CH3COO]- 253.05131 150.6
[M+Na-2H]- 215.01213 142.1
[M]+ 194.03691 137.1
[M]- 194.03801 137.1
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