CID 21258657

1-cyclohexyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C8H13N3
SMILES
C1CCC(CC1)N2C=CN=N2
InChI
InChI=1S/C8H13N3/c1-2-4-8(5-3-1)11-7-6-9-10-11/h6-8H,1-5H2
InChIKey
RMPJCYYKYLMUSA-UHFFFAOYSA-N
Compound name
1-cyclohexyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

151.11095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 132.6
[M+Na]+ 174.100168 138.6
[M-H]- 150.103674 134.3
[M+NH4]+ 169.144773 150.8
[M+K]+ 190.074108 136.8
[M+H-H2O]+ 134.108210 123.5
[M+HCOO]- 196.109151 151.4
[M+CH3COO]- 210.124801 144.6
[M+Na-2H]- 172.085616 137.9
[M]+ 151.11040142 127.5
[M]- 151.11149858 127.5
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