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 127.7
[M+Na]+ 165.02053 137.8
[M+NH4]+ 160.06513 135.1
[M+K]+ 180.99447 133.4
[M-H]- 141.02403 127.6
[M+Na-2H]- 163.00598 131.8
[M]+ 142.03076 129.2
[M]- 142.03186 129.2
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.