CID 121596214

2''-hydroxycannabidiol

Structural Information

Molecular Formula
C21H30O3
SMILES
CCCC(CC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O
InChI
InChI=1S/C21H30O3/c1-5-6-16(22)10-15-11-19(23)21(20(24)12-15)18-9-14(4)7-8-17(18)13(2)3/h9,11-12,16-18,22-24H,2,5-8,10H2,1,3-4H3/t16?,17-,18+/m0/s1
InChIKey
PVRJAZVKVQMBIZ-UQJFVLDMSA-N
Compound name
5-(2-hydroxypentyl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.21948 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 182.3
[M+Na]+ 353.20870 186.6
[M-H]- 329.21220 184.4
[M+NH4]+ 348.25330 194.6
[M+K]+ 369.18264 181.5
[M+H-H2O]+ 313.21674 175.5
[M+HCOO]- 375.21768 195.6
[M+CH3COO]- 389.23333 209.6
[M+Na-2H]- 351.19415 177.4
[M]+ 330.21893 179.8
[M]- 330.22003 179.8
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.