CID 16227311

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

Structural Information

Molecular Formula
C5H7N3S
SMILES
C1CC1N2C=NNC2=S
InChI
InChI=1S/C5H7N3S/c9-5-7-6-3-8(5)4-1-2-4/h3-4H,1-2H2,(H,7,9)
InChIKey
RQECFEVNVXJQEC-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

141.03607 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 129.9
[M+Na]+ 164.02529 142.2
[M-H]- 140.02879 132.9
[M+NH4]+ 159.06989 144.6
[M+K]+ 179.99923 137.4
[M+H-H2O]+ 124.03333 122.6
[M+HCOO]- 186.03427 146.8
[M+CH3COO]- 200.04992 143.0
[M+Na-2H]- 162.01074 132.5
[M]+ 141.03552 131.5
[M]- 141.03662 131.5
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

patents stripe