CID 122163881

1-methyl-1h-1,2,3-triazole-4-carbothioamide

Structural Information

Molecular Formula
C4H6N4S
SMILES
CN1C=C(N=N1)C(=S)N
InChI
InChI=1S/C4H6N4S/c1-8-2-3(4(5)9)6-7-8/h2H,1H3,(H2,5,9)
InChIKey
ODYJBZUGJMCLMP-UHFFFAOYSA-N
Compound name
1-methyltriazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.03131 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.038586 126.4
[M+Na]+ 165.020528 136.7
[M-H]- 141.024034 126.6
[M+NH4]+ 160.065133 146.1
[M+K]+ 180.994468 134.5
[M+H-H2O]+ 125.028570 119.5
[M+HCOO]- 187.029511 143.8
[M+CH3COO]- 201.045161 173.6
[M+Na-2H]- 163.005976 128.5
[M]+ 142.03076142 126.3
[M]- 142.03185858 126.3
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

No patent data available for this compound.