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

4
Patents

330.21948 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 182.1
[M+Na]+ 353.20870 187.6
[M-H]- 329.21220 184.6
[M+NH4]+ 348.25330 194.8
[M+K]+ 369.18264 182.0
[M+H-H2O]+ 313.21674 175.4
[M+HCOO]- 375.21768 196.4
[M+CH3COO]- 389.23333 209.9
[M+Na-2H]- 351.19415 177.8
[M]+ 330.21893 180.7
[M]- 330.22003 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