CID 143232

Cyclohexane, 1-(cyclohexylmethyl)-4-ethyl-, cis-

Structural Information

Molecular Formula
C15H28
SMILES
CCC1CCC(CC1)CC2CCCCC2
InChI
InChI=1S/C15H28/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h13-15H,2-12H2,1H3
InChIKey
NKFHIHVCTLOXCA-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-4-ethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

208.2191 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.22638 154.2
[M+Na]+ 231.20832 155.0
[M-H]- 207.21182 158.5
[M+NH4]+ 226.25292 172.5
[M+K]+ 247.18226 152.2
[M+H-H2O]+ 191.21636 147.0
[M+HCOO]- 253.21730 169.5
[M+CH3COO]- 267.23295 188.4
[M+Na-2H]- 229.19377 154.8
[M]+ 208.21855 145.3
[M]- 208.21965 145.3
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