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: 1396
Patents: 330.1831 Da
Monoisotopic Mass: 5.9
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]+	331.190376	179.9
[M+Na]+	353.172318	186.7
[M-H]-	329.175824	182.2
[M+NH4]+	348.216923	194.8
[M+K]+	369.146258	183.5
[M+H-H2O]+	313.180360	174.1
[M+HCOO]-	375.181301	194.3
[M+CH3COO]-	389.196951	209.5
[M+Na-2H]-	351.157766	180.7
[M]+	330.18255142	183.0
[M]-	330.18364858	183.0

Literature stripe

literature stripe

Patent stripe

patents stripe