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]+	207.065176	140.4
[M+Na]+	229.047118	149.7
[M-H]-	205.050624	144.3
[M+NH4]+	224.091723	161.9
[M+K]+	245.021058	147.4
[M+H-H2O]+	189.055160	135.8
[M+HCOO]-	251.056101	162.2
[M+CH3COO]-	265.071751	183.4
[M+Na-2H]-	227.032566	143.9
[M]+	206.05735142	142.2
[M]-	206.05844858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe