CID 50988725

5-(2-aminoethyl)-4-cyclopropyl-4h-1,2,4-triazole-3-thiol hydrochloride

Structural Information

Molecular Formula
C7H12N4S
SMILES
C1CC1N2C(=NNC2=S)CCN
InChI
InChI=1S/C7H12N4S/c8-4-3-6-9-10-7(12)11(6)5-1-2-5/h5H,1-4,8H2,(H,10,12)
InChIKey
ZHPZGCDJYDDXNU-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07826 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08554 139.8
[M+Na]+ 207.06748 151.3
[M-H]- 183.07098 142.3
[M+NH4]+ 202.11208 152.6
[M+K]+ 223.04142 144.9
[M+H-H2O]+ 167.07552 132.4
[M+HCOO]- 229.07646 156.5
[M+CH3COO]- 243.09211 151.7
[M+Na-2H]- 205.05293 140.8
[M]+ 184.07771 141.0
[M]- 184.07881 141.0
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.