CID 3081990

Cannabinolic acid

Structural Information

Molecular Formula
C22H26O4
SMILES
CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)O)O
InChI
InChI=1S/C22H26O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h9-12,23H,5-8H2,1-4H3,(H,24,25)
InChIKey
KXKOBIRSQLNUPS-UHFFFAOYSA-N
Compound name
1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1917
Patents

354.1831 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 186.0
[M+Na]+ 377.17232 194.8
[M-H]- 353.17582 189.7
[M+NH4]+ 372.21692 201.2
[M+K]+ 393.14626 190.9
[M+H-H2O]+ 337.18036 179.2
[M+HCOO]- 399.18130 200.0
[M+CH3COO]- 413.19695 216.4
[M+Na-2H]- 375.15777 188.4
[M]+ 354.18255 190.6
[M]- 354.18365 190.6
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.