CID 2342031

31821-73-5

Structural Information

Molecular Formula
C5H8N4S
SMILES
C1CC1C2=NNC(=S)N2N
InChI
InChI=1S/C5H8N4S/c6-9-4(3-1-2-3)7-8-5(9)10/h3H,1-2,6H2,(H,8,10)
InChIKey
VHSPUADGNVTVDC-UHFFFAOYSA-N
Compound name
4-amino-3-cyclopropyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

156.04697 Da
Monoisotopic Mass

-0.3
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

literature stripe

Patent stripe

patents stripe