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: 3701
Patents: 310.19327 Da
Monoisotopic Mass: 7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe