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]+ 143.03859 126.4
[M+Na]+ 165.02053 136.7
[M-H]- 141.02403 126.6
[M+NH4]+ 160.06513 146.1
[M+K]+ 180.99447 134.5
[M+H-H2O]+ 125.02857 119.5
[M+HCOO]- 187.02951 143.8
[M+CH3COO]- 201.04516 173.6
[M+Na-2H]- 163.00598 128.5
[M]+ 142.03076 126.3
[M]- 142.03186 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.