CID 390801

Nsc688799

Structural Information

Molecular Formula

C₁₂H₁₂O₅

SMILES

CC1=CC(=O)OC2=CC(=C(C(=C12)OC)O)OC

InChI

InChI=1S/C12H12O5/c1-6-4-9(13)17-7-5-8(15-2)11(14)12(16-3)10(6)7/h4-5,14H,1-3H3

InChIKey

WXTIUSAQMSOLIH-UHFFFAOYSA-N

Compound name

6-hydroxy-5,7-dimethoxy-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.06847 Da
Monoisotopic Mass: 1.4
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]+	237.07575	145.6
[M+Na]+	259.05769	157.3
[M-H]-	235.06119	151.1
[M+NH4]+	254.10229	163.5
[M+K]+	275.03163	156.6
[M+H-H2O]+	219.06573	139.8
[M+HCOO]-	281.06667	167.8
[M+CH3COO]-	295.08232	191.1
[M+Na-2H]-	257.04314	152.6
[M]+	236.06792	152.8
[M]-	236.06902	152.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.