CID 10470862

Onogenin

Structural Information

Molecular Formula

C₁₇H₁₄O₆

SMILES

COC1=CC2=C(C=C1C3COC4=C(C3=O)C=CC(=C4)O)OCO2

InChI

InChI=1S/C17H14O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-6,12,18H,7-8H2,1H3

InChIKey

DZXJXYRRENIUNP-UHFFFAOYSA-N

Compound name

7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 314.07904 Da
Monoisotopic Mass: 2.5
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]+	315.086316	167.1
[M+Na]+	337.068258	176.3
[M-H]-	313.071764	176.9
[M+NH4]+	332.112863	180.9
[M+K]+	353.042198	176.3
[M+H-H2O]+	297.076300	161.0
[M+HCOO]-	359.077241	183.3
[M+CH3COO]-	373.092891	179.5
[M+Na-2H]-	335.053706	172.3
[M]+	314.07849142	171.3
[M]-	314.07958858	171.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.