CID 43175075

2-methyl-3-(1h-1,2,4-triazol-1-yl)propanethioamide

Structural Information

Molecular Formula
C6H10N4S
SMILES
CC(CN1C=NC=N1)C(=S)N
InChI
InChI=1S/C6H10N4S/c1-5(6(7)11)2-10-4-8-3-9-10/h3-5H,2H2,1H3,(H2,7,11)
InChIKey
GSTZKEVDDFIVIZ-UHFFFAOYSA-N
Compound name
2-methyl-3-(1,2,4-triazol-1-yl)propanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06262 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.069896 135.5
[M+Na]+ 193.051838 143.7
[M-H]- 169.055344 135.1
[M+NH4]+ 188.096443 153.7
[M+K]+ 209.025778 141.6
[M+H-H2O]+ 153.059880 127.9
[M+HCOO]- 215.060821 151.2
[M+CH3COO]- 229.076471 179.4
[M+Na-2H]- 191.037286 136.3
[M]+ 170.06207142 135.2
[M]- 170.06316858 135.2
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.