CID 13704005

8-methoxy-6,7-methylenedioxycoumarin

Structural Information

Molecular Formula

C₁₁H₈O₅

SMILES

COC1=C2C(=CC3=C1OCO3)C=CC(=O)O2

InChI

InChI=1S/C11H8O5/c1-13-11-9-6(2-3-8(12)16-9)4-7-10(11)15-5-14-7/h2-4H,5H2,1H3

InChIKey

GDJFGAQXNUYMPM-UHFFFAOYSA-N

Compound name

4-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 220.03717 Da
Monoisotopic Mass: 1.7
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]+	221.04445	140.1
[M+Na]+	243.02639	154.6
[M+NH4]+	238.07099	148.8
[M+K]+	259.00033	151.7
[M-H]-	219.02989	146.1
[M+Na-2H]-	241.01184	144.0
[M]+	220.03662	144.0
[M]-	220.03772	144.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.