CID 139594590

Ns00010147

Structural Information

Molecular Formula
C18H34O
SMILES
CC(CC(C)(C)C1CCCCC1)C2CCCCC2O
InChI
InChI=1S/C18H34O/c1-14(16-11-7-8-12-17(16)19)13-18(2,3)15-9-5-4-6-10-15/h14-17,19H,4-13H2,1-3H3
InChIKey
CPKAJMGGOFVEDN-UHFFFAOYSA-N
Compound name
2-(4-cyclohexyl-4-methylpentan-2-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.26096 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.268236 170.2
[M+Na]+ 289.250178 169.6
[M-H]- 265.253684 172.8
[M+NH4]+ 284.294783 185.5
[M+K]+ 305.224118 166.6
[M+H-H2O]+ 249.258220 163.5
[M+HCOO]- 311.259161 180.6
[M+CH3COO]- 325.274811 198.1
[M+Na-2H]- 287.235626 168.5
[M]+ 266.26041142 161.0
[M]- 266.26150858 161.0
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

No patent data available for this compound.