CID 77681

4066-02-8

Structural Information

Molecular Formula
C27H36O2
SMILES
CC1=CC(=C(C(=C1)C2CCCCC2)O)CC3=C(C(=CC(=C3)C)C4CCCCC4)O
InChI
InChI=1S/C27H36O2/c1-18-13-22(26(28)24(15-18)20-9-5-3-6-10-20)17-23-14-19(2)16-25(27(23)29)21-11-7-4-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3
InChIKey
AKNMPWVTPUHKCG-UHFFFAOYSA-N
Compound name
2-cyclohexyl-6-[(3-cyclohexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15831
Patents

392.27155 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27883 202.8
[M+Na]+ 415.26077 216.6
[M+NH4]+ 410.30537 211.5
[M+K]+ 431.23471 206.9
[M-H]- 391.26427 211.4
[M+Na-2H]- 413.24622 210.5
[M]+ 392.27100 207.3
[M]- 392.27210 207.3
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