CID 53357350

6alpha-hydroxycannabidiol

Structural Information

Molecular Formula
C21H30O3
SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C([C@H](C[C@H]2C(=C)C)O)C)O
InChI
InChI=1S/C21H30O3/c1-5-6-7-8-15-10-19(23)21(20(24)11-15)17-9-14(4)18(22)12-16(17)13(2)3/h9-11,16-18,22-24H,2,5-8,12H2,1,3-4H3/t16-,17+,18-/m0/s1
InChIKey
YYLPAYRRVSQJRR-KSZLIROESA-N
Compound name
2-[(1R,4S,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

330.21948 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.226756 182.1
[M+Na]+ 353.208698 187.6
[M-H]- 329.212204 184.6
[M+NH4]+ 348.253303 194.8
[M+K]+ 369.182638 182.0
[M+H-H2O]+ 313.216740 175.4
[M+HCOO]- 375.217681 196.4
[M+CH3COO]- 389.233331 209.9
[M+Na-2H]- 351.194146 177.8
[M]+ 330.21893142 180.7
[M]- 330.22002858 180.7
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

patents stripe