CID 54594263

1955564-25-6

Structural Information

Molecular Formula
C5H5N5S
SMILES
C1=C(NN=C1)C2=NC(=S)NN2
InChI
InChI=1S/C5H5N5S/c11-5-7-4(9-10-5)3-1-2-6-8-3/h1-2H,(H,6,8)(H2,7,9,10,11)
InChIKey
CUWURAFRGZTODK-UHFFFAOYSA-N
Compound name
5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.02657 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03385 131.0
[M+Na]+ 190.01579 143.7
[M-H]- 166.01929 129.4
[M+NH4]+ 185.06039 147.4
[M+K]+ 205.98973 138.0
[M+H-H2O]+ 150.02383 123.8
[M+HCOO]- 212.02477 145.8
[M+CH3COO]- 226.04042 143.5
[M+Na-2H]- 188.00124 133.0
[M]+ 167.02602 129.3
[M]- 167.02712 129.3
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.