CID 2735343

4-amino-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C2H4N4S
SMILES
C1=NNC(=S)N1N
InChI
InChI=1S/C2H4N4S/c3-6-1-4-5-2(6)7/h1H,3H2,(H,5,7)
InChIKey
DLLBXBCKFUPBJE-UHFFFAOYSA-N
Compound name
4-amino-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

730
Patents

116.01567 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.022946 118.1
[M+Na]+ 139.004888 129.2
[M-H]- 115.008394 117.1
[M+NH4]+ 134.049493 138.2
[M+K]+ 154.978828 126.0
[M+H-H2O]+ 99.012930 111.7
[M+HCOO]- 161.013871 135.6
[M+CH3COO]- 175.029521 131.9
[M+Na-2H]- 136.990336 121.8
[M]+ 116.01512142 116.1
[M]- 116.01621858 116.1
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