CID 11301963

7-hydroxycannabidiol

Structural Information

Molecular Formula
C21H30O3
SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)CO)O
InChI
InChI=1S/C21H30O3/c1-4-5-6-7-15-11-19(23)21(20(24)12-15)18-10-16(13-22)8-9-17(18)14(2)3/h10-12,17-18,22-24H,2,4-9,13H2,1,3H3/t17-,18+/m0/s1
InChIKey
ZELUXPWDPVXUEI-ZWKOTPCHSA-N
Compound name
2-[(1R,6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

410
Patents

330.21948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 183.7
[M+Na]+ 353.20870 194.9
[M+NH4]+ 348.25330 189.9
[M+K]+ 369.18264 188.1
[M-H]- 329.21220 186.0
[M+Na-2H]- 351.19415 187.1
[M]+ 330.21893 185.8
[M]- 330.22003 185.8
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

patents stripe