CID 857160

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

Structural Information

Molecular Formula
C6H9N3S
SMILES
CN1C(=NNC1=S)C2CC2
InChI
InChI=1S/C6H9N3S/c1-9-5(4-2-3-4)7-8-6(9)10/h4H,2-3H2,1H3,(H,8,10)
InChIKey
GJFFNHYCAAALIV-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

155.05171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05899 135.5
[M+Na]+ 178.04093 148.6
[M+NH4]+ 173.08553 144.0
[M+K]+ 194.01487 144.0
[M-H]- 154.04443 143.2
[M+Na-2H]- 176.02638 142.8
[M]+ 155.05116 140.9
[M]- 155.05226 140.9
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