CID 565313

88416-89-1

Structural Information

Molecular Formula
C19H36O
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)COC
InChI
InChI=1S/C19H36O/c1-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(10-14-19)15-20-2/h16-19H,3-15H2,1-2H3
InChIKey
IGEQYNHAJQNCAL-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

280.2766 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.283876 175.1
[M+Na]+ 303.265818 175.1
[M-H]- 279.269324 178.9
[M+NH4]+ 298.310423 190.7
[M+K]+ 319.239758 171.9
[M+H-H2O]+ 263.273860 167.1
[M+HCOO]- 325.274801 189.2
[M+CH3COO]- 339.290451 203.5
[M+Na-2H]- 301.251266 172.9
[M]+ 280.27605142 169.4
[M]- 280.27714858 169.4
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