CID 12341286

60031-08-5

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1CC(=O)C2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C10H8O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5H,3-4H2,(H,12,13)

InChIKey

BIABIACQHKYEEB-UHFFFAOYSA-N

Compound name

3-oxo-1,2-dihydroindene-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 176.04735 Da
Monoisotopic Mass: 1.2
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]+	177.05463	134.8
[M+Na]+	199.03657	146.1
[M+NH4]+	194.08117	143.1
[M+K]+	215.01051	142.7
[M-H]-	175.04007	135.6
[M+Na-2H]-	197.02202	139.0
[M]+	176.04680	136.4
[M]-	176.04790	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe