CID 3162005

90111-72-1

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CCC(CC1)C2=NC(=NN2)N
InChI
InChI=1S/C8H14N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKey
MHKYLXXPZPFWRK-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

15
Patents

166.12184 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 136.8
[M+Na]+ 189.11106 146.6
[M+NH4]+ 184.15566 144.3
[M+K]+ 205.08500 143.2
[M-H]- 165.11456 138.5
[M+Na-2H]- 187.09651 142.4
[M]+ 166.12129 138.2
[M]- 166.12239 138.2
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