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: 3573
Patents: 358.21442 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	359.221696	189.1
[M+Na]+	381.203638	195.0
[M-H]-	357.207144	191.0
[M+NH4]+	376.248243	202.8
[M+K]+	397.177578	191.4
[M+H-H2O]+	341.211680	182.9
[M+HCOO]-	403.212621	202.8
[M+CH3COO]-	417.228271	215.4
[M+Na-2H]-	379.189086	188.8
[M]+	358.21387142	192.9
[M]-	358.21496858	192.9

Literature stripe

literature stripe

Patent stripe

patents stripe