CID 3084339

Cannabichromenate

Structural Information

Molecular Formula
C22H30O4
SMILES
CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)O
InChI
InChI=1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)
InChIKey
HRHJHXJQMNWQTF-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4285
Patents

358.21442 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22170 189.1
[M+Na]+ 381.20364 195.0
[M-H]- 357.20714 191.0
[M+NH4]+ 376.24824 202.8
[M+K]+ 397.17758 191.4
[M+H-H2O]+ 341.21168 182.9
[M+HCOO]- 403.21262 202.8
[M+CH3COO]- 417.22827 215.4
[M+Na-2H]- 379.18909 188.8
[M]+ 358.21387 192.9
[M]- 358.21497 192.9
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