CID 3034333

4,5-dihydro-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula
C2H3N3S
SMILES
C1NC(=S)N=N1
InChI
InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H2,(H,3,6)
InChIKey
CAEQSGPURHVZNG-UHFFFAOYSA-N
Compound name
3,4-dihydro-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

101.00477 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.01205 115.7
[M+Na]+ 123.99399 125.7
[M-H]- 99.997494 114.5
[M+NH4]+ 119.03859 136.6
[M+K]+ 139.96793 123.7
[M+H-H2O]+ 84.002030 109.4
[M+HCOO]- 146.00297 131.5
[M+CH3COO]- 160.01862 129.4
[M+Na-2H]- 121.97944 119.5
[M]+ 101.00422 113.6
[M]- 101.00532 113.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe