CID 131751073

8-methoxygravelliferone

Structural Information

Molecular Formula

C₂₀H₂₄O₄

SMILES

CC(=CCC1=C(C(=C2C(=C1)C=C(C(=O)O2)C(C)(C)C=C)OC)O)C

InChI

InChI=1S/C20H24O4/c1-7-20(4,5)15-11-14-10-13(9-8-12(2)3)16(21)18(23-6)17(14)24-19(15)22/h7-8,10-11,21H,1,9H2,2-6H3

InChIKey

YQFOLGLNDZRLBW-UHFFFAOYSA-N

Compound name

7-hydroxy-8-methoxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.16745 Da
Monoisotopic Mass: 5.4
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]+	329.174726	177.1
[M+Na]+	351.156668	186.2
[M-H]-	327.160174	181.5
[M+NH4]+	346.201273	191.2
[M+K]+	367.130608	182.9
[M+H-H2O]+	311.164710	171.0
[M+HCOO]-	373.165651	194.1
[M+CH3COO]-	387.181301	212.1
[M+Na-2H]-	349.142116	179.6
[M]+	328.16690142	183.0
[M]-	328.16799858	183.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.