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

45
Patents

280.2766 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.28388 175.1
[M+Na]+ 303.26582 175.1
[M-H]- 279.26932 178.9
[M+NH4]+ 298.31042 190.7
[M+K]+ 319.23976 171.9
[M+H-H2O]+ 263.27386 167.1
[M+HCOO]- 325.27480 189.2
[M+CH3COO]- 339.29045 203.5
[M+Na-2H]- 301.25127 172.9
[M]+ 280.27605 169.4
[M]- 280.27715 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