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

2023
Patents

354.1831 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.190376 186.0
[M+Na]+ 377.172318 194.8
[M-H]- 353.175824 189.7
[M+NH4]+ 372.216923 201.2
[M+K]+ 393.146258 190.9
[M+H-H2O]+ 337.180360 179.2
[M+HCOO]- 399.181301 200.0
[M+CH3COO]- 413.196951 216.4
[M+Na-2H]- 375.157766 188.4
[M]+ 354.18255142 190.6
[M]- 354.18364858 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

literature stripe

Patent stripe

patents stripe