CID 11110322

Cannabichromevarinic acid

Structural Information

Molecular Formula
C20H26O4
SMILES
CCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)O
InChI
InChI=1S/C20H26O4/c1-5-7-14-12-16-15(18(21)17(14)19(22)23)9-11-20(4,24-16)10-6-8-13(2)3/h8-9,11-12,21H,5-7,10H2,1-4H3,(H,22,23)
InChIKey
OIVPAQDCMDYIIL-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1846
Patents

330.1831 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 180.1
[M+Na]+ 353.17232 191.3
[M+NH4]+ 348.21692 187.3
[M+K]+ 369.14626 183.8
[M-H]- 329.17582 181.7
[M+Na-2H]- 351.15777 183.0
[M]+ 330.18255 182.2
[M]- 330.18365 182.2
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