CID 101621543

5''-hydroxycannabidiol

Structural Information

Molecular Formula
C21H30O3
SMILES
CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C=C(C=C2O)CCCCCO)O
InChI
InChI=1S/C21H30O3/c1-14(2)17-9-8-15(3)11-18(17)21-19(23)12-16(13-20(21)24)7-5-4-6-10-22/h11-13,17-18,22-24H,1,4-10H2,2-3H3/t17-,18+/m0/s1
InChIKey
ZKGKOAJUWMGRFB-ZWKOTPCHSA-N
Compound name
5-(5-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

1
References

0
Patents

330.21948 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 182.7
[M+Na]+ 353.20870 187.3
[M-H]- 329.21220 184.7
[M+NH4]+ 348.25330 195.1
[M+K]+ 369.18264 181.5
[M+H-H2O]+ 313.21674 175.7
[M+HCOO]- 375.21768 197.0
[M+CH3COO]- 389.23333 208.6
[M+Na-2H]- 351.19415 179.0
[M]+ 330.21893 180.8
[M]- 330.22003 180.8
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

No patent data available for this compound.