CID 11551346

Cannabinodiol

Structural Information

Molecular Formula
C21H26O2
SMILES
CCCCCC1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C)C(=C)C)O
InChI
InChI=1S/C21H26O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h9-13,22-23H,2,5-8H2,1,3-4H3
InChIKey
TWKHUZXSTKISQC-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-pentylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2355
Patents

310.19327 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20055 176.2
[M+Na]+ 333.18249 183.5
[M-H]- 309.18599 180.5
[M+NH4]+ 328.22709 190.4
[M+K]+ 349.15643 177.5
[M+H-H2O]+ 293.19053 169.1
[M+HCOO]- 355.19147 194.8
[M+CH3COO]- 369.20712 208.0
[M+Na-2H]- 331.16794 174.9
[M]+ 310.19272 177.6
[M]- 310.19382 177.6
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

No patent data available for this compound.