CID 12676392

71005-12-4

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1CC(=O)C2=C1C=CC=C2C(=O)O

InChI

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

InChIKey

PHXDJUCKRPYDTG-UHFFFAOYSA-N

Compound name

3-oxo-1,2-dihydroindene-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	177.054626	133.6
[M+Na]+	199.036568	142.5
[M-H]-	175.040074	137.3
[M+NH4]+	194.081173	156.1
[M+K]+	215.010508	139.9
[M+H-H2O]+	159.044610	129.0
[M+HCOO]-	221.045551	155.6
[M+CH3COO]-	235.061201	177.0
[M+Na-2H]-	197.022016	138.1
[M]+	176.04680142	133.2
[M]-	176.04789858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe