CID 12788231

Cannabicyclohexanol

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O
InChI
InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3/t17-,19+/m1/s1
InChIKey
HNMJDLVMIUDJNH-MJGOQNOKSA-N
Compound name
2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4
References

89
Patents

332.27155 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 186.9
[M+Na]+ 355.26077 197.2
[M+NH4]+ 350.30537 194.0
[M+K]+ 371.23471 189.6
[M-H]- 331.26427 189.6
[M+Na-2H]- 353.24622 191.0
[M]+ 332.27100 189.1
[M]- 332.27210 189.1
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