CID 121596215

3''-hydroxycannabidiol

Structural Information

Molecular Formula
C21H30O3
SMILES
CCC(CCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O
InChI
InChI=1S/C21H30O3/c1-5-16(22)8-7-15-11-19(23)21(20(24)12-15)18-10-14(4)6-9-17(18)13(2)3/h10-12,16-18,22-24H,2,5-9H2,1,3-4H3/t16?,17-,18+/m0/s1
InChIKey
OEOXRPUFTSADIH-UQJFVLDMSA-N
Compound name
5-(3-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 183.5
[M+Na]+ 353.20870 194.3
[M+NH4]+ 348.25330 189.5
[M+K]+ 369.18264 188.3
[M-H]- 329.21220 185.5
[M+Na-2H]- 351.19415 186.5
[M]+ 330.21893 185.4
[M]- 330.22003 185.4
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.