CID 59444387

Cannabidivarinic acid

Structural Information

Molecular Formula
C20H26O4
SMILES
CCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
InChI
InChI=1S/C20H26O4/c1-5-6-13-10-16(21)18(19(22)17(13)20(23)24)15-9-12(4)7-8-14(15)11(2)3/h9-10,14-15,21-22H,2,5-8H2,1,3-4H3,(H,23,24)/t14-,15+/m0/s1
InChIKey
CZXWOKHVLNYAHI-LSDHHAIUSA-N
Compound name
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-propylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1763
Patents

330.1831 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 178.6
[M+Na]+ 353.17232 184.4
[M-H]- 329.17582 181.3
[M+NH4]+ 348.21692 191.0
[M+K]+ 369.14626 179.7
[M+H-H2O]+ 313.18036 172.1
[M+HCOO]- 375.18130 192.6
[M+CH3COO]- 389.19695 209.5
[M+Na-2H]- 351.15777 173.7
[M]+ 330.18255 176.9
[M]- 330.18365 176.9
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

No patent data available for this compound.