CID 21149883

Schembl17965858

Structural Information

Molecular Formula
C20H26O
SMILES
C1CCC(CC1)C2(C=CC=CC2O)CCC3=CC=CC=C3
InChI
InChI=1S/C20H26O/c21-19-13-7-8-15-20(19,18-11-5-2-6-12-18)16-14-17-9-3-1-4-10-17/h1,3-4,7-10,13,15,18-19,21H,2,5-6,11-12,14,16H2
InChIKey
WFCPRXAIIITVBR-UHFFFAOYSA-N
Compound name
6-cyclohexyl-6-(2-phenylethyl)cyclohexa-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.19836 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20564 170.9
[M+Na]+ 305.18758 173.6
[M-H]- 281.19108 177.5
[M+NH4]+ 300.23218 187.0
[M+K]+ 321.16152 168.3
[M+H-H2O]+ 265.19562 162.1
[M+HCOO]- 327.19656 187.5
[M+CH3COO]- 341.21221 180.2
[M+Na-2H]- 303.17303 173.7
[M]+ 282.19781 163.7
[M]- 282.19891 163.7
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