CID 2383144

4-amino-5-cyclohexyl-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C8H14N4S
SMILES
C1CCC(CC1)C2=NNC(=S)N2N
InChI
InChI=1S/C8H14N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h6H,1-5,9H2,(H,11,13)
InChIKey
SAIDSKQFVRWPOQ-UHFFFAOYSA-N
Compound name
4-amino-3-cyclohexyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

198.09392 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10120 142.6
[M+Na]+ 221.08314 150.4
[M-H]- 197.08664 143.6
[M+NH4]+ 216.12774 159.2
[M+K]+ 237.05708 145.6
[M+H-H2O]+ 181.09118 135.0
[M+HCOO]- 243.09212 155.7
[M+CH3COO]- 257.10777 153.6
[M+Na-2H]- 219.06859 142.5
[M]+ 198.09337 136.7
[M]- 198.09447 136.7
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