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

2909
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

literature stripe

Patent stripe

patents stripe