CID 59444413

Cannabidiol-c4

Structural Information

Molecular Formula
C20H28O2
SMILES
CCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
InChI
InChI=1S/C20H28O2/c1-5-6-7-15-11-18(21)20(19(22)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-17,21-22H,2,5-9H2,1,3-4H3/t16-,17+/m0/s1
InChIKey
WBRXESQKGXYDOL-DLBZAZTESA-N
Compound name
5-butyl-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

3
References

2009
Patents

300.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 174.3
[M+Na]+ 323.19814 180.0
[M-H]- 299.20164 178.0
[M+NH4]+ 318.24274 188.8
[M+K]+ 339.17208 174.6
[M+H-H2O]+ 283.20618 167.5
[M+HCOO]- 345.20712 190.3
[M+CH3COO]- 359.22277 205.8
[M+Na-2H]- 321.18359 171.6
[M]+ 300.20837 172.5
[M]- 300.20947 172.5
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