CID 25585106

5-amino-4-cyclopropyl-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C5H8N4S
SMILES
C1CC1N2C(=NNC2=S)N
InChI
InChI=1S/C5H8N4S/c6-4-7-8-5(10)9(4)3-1-2-3/h3H,1-2H2,(H2,6,7)(H,8,10)
InChIKey
AYGLNHBCKFNEAF-UHFFFAOYSA-N
Compound name
3-amino-4-cyclopropyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04697 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05425 132.1
[M+Na]+ 179.03619 144.4
[M-H]- 155.03969 134.9
[M+NH4]+ 174.08079 145.9
[M+K]+ 195.01013 138.4
[M+H-H2O]+ 139.04423 125.0
[M+HCOO]- 201.04517 149.4
[M+CH3COO]- 215.06082 144.7
[M+Na-2H]- 177.02164 133.9
[M]+ 156.04642 132.6
[M]- 156.04752 132.6
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.