CID 10938040

57100-74-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5599
Patents

392.27155 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27883 199.2
[M+Na]+ 415.26077 199.5
[M-H]- 391.26427 206.8
[M+NH4]+ 410.30537 208.0
[M+K]+ 431.23471 193.1
[M+H-H2O]+ 375.26881 189.3
[M+HCOO]- 437.26975 208.7
[M+CH3COO]- 451.28540 219.4
[M+Na-2H]- 413.24622 196.3
[M]+ 392.27100 189.0
[M]- 392.27210 189.0
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