CID 16657068

Cannabidiorcol

Structural Information

Molecular Formula
C17H22O2
SMILES
CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C=C(C=C2O)C)O
InChI
InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1
InChIKey
GKVOVXWEBSQJPA-UONOGXRCSA-N
Compound name
5-methyl-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

0
References

1936
Patents

258.162 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 160.5
[M+Na]+ 281.15122 167.5
[M-H]- 257.15472 164.9
[M+NH4]+ 276.19582 176.7
[M+K]+ 297.12516 162.9
[M+H-H2O]+ 241.15926 154.4
[M+HCOO]- 303.16020 177.6
[M+CH3COO]- 317.17585 196.8
[M+Na-2H]- 279.13667 159.4
[M]+ 258.16145 157.7
[M]- 258.16255 157.7
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