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]+ 171.06990 135.5
[M+Na]+ 193.05184 143.7
[M-H]- 169.05534 135.1
[M+NH4]+ 188.09644 153.7
[M+K]+ 209.02578 141.6
[M+H-H2O]+ 153.05988 127.9
[M+HCOO]- 215.06082 151.2
[M+CH3COO]- 229.07647 179.4
[M+Na-2H]- 191.03729 136.3
[M]+ 170.06207 135.2
[M]- 170.06317 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.