CID 61361214

2309458-32-8

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CC(CCC1C2=NC=NN2)N
InChI
InChI=1S/C8H14N4/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h5-7H,1-4,9H2,(H,10,11,12)
InChIKey
OAMZBBRGCCAGJL-UHFFFAOYSA-N
Compound name
4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

166.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 136.8
[M+Na]+ 189.11106 142.6
[M-H]- 165.11456 137.1
[M+NH4]+ 184.15566 153.5
[M+K]+ 205.08500 139.3
[M+H-H2O]+ 149.11910 128.0
[M+HCOO]- 211.12004 154.6
[M+CH3COO]- 225.13569 147.8
[M+Na-2H]- 187.09651 140.6
[M]+ 166.12129 128.7
[M]- 166.12239 128.7
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