CID 719732

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

Structural Information

Molecular Formula
C5H10N4S
SMILES
CCCC1=NNC(=S)N1N
InChI
InChI=1S/C5H10N4S/c1-2-3-4-7-8-5(10)9(4)6/h2-3,6H2,1H3,(H,8,10)
InChIKey
ROAXVRKEIASZAE-UHFFFAOYSA-N
Compound name
4-amino-3-propyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

158.06262 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06990 131.3
[M+Na]+ 181.05184 141.9
[M-H]- 157.05534 130.2
[M+NH4]+ 176.09644 150.1
[M+K]+ 197.02578 137.9
[M+H-H2O]+ 141.05988 124.6
[M+HCOO]- 203.06082 147.8
[M+CH3COO]- 217.07647 174.5
[M+Na-2H]- 179.03729 132.8
[M]+ 158.06207 130.7
[M]- 158.06317 130.7
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