CID 71029413

946614-58-0

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

COC1=CC=CC2=C1C(CC2=O)C(=O)O

InChI

InChI=1S/C11H10O4/c1-15-9-4-2-3-6-8(12)5-7(10(6)9)11(13)14/h2-4,7H,5H2,1H3,(H,13,14)

InChIKey

WOBDKXYPNQHXPL-UHFFFAOYSA-N

Compound name

7-methoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.0579 Da
Monoisotopic Mass: 0.9
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]+	207.06518	141.9
[M+Na]+	229.04712	152.9
[M+NH4]+	224.09172	149.5
[M+K]+	245.02106	150.0
[M-H]-	205.05062	142.2
[M+Na-2H]-	227.03257	145.2
[M]+	206.05735	143.3
[M]-	206.05845	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe