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]+ 185.085536 139.8
[M+Na]+ 207.067478 151.3
[M-H]- 183.070984 142.3
[M+NH4]+ 202.112083 152.6
[M+K]+ 223.041418 144.9
[M+H-H2O]+ 167.075520 132.4
[M+HCOO]- 229.076461 156.5
[M+CH3COO]- 243.092111 151.7
[M+Na-2H]- 205.052926 140.8
[M]+ 184.07771142 141.0
[M]- 184.07880858 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.