CID 441323

1-formyl-2-indanone

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C1C2=CC=CC=C2C(C1=O)C=O

InChI

InChI=1S/C10H8O2/c11-6-9-8-4-2-1-3-7(8)5-10(9)12/h1-4,6,9H,5H2

InChIKey

TTZVRMUMCHLXAS-UHFFFAOYSA-N

Compound name

2-oxo-1,3-dihydroindene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 160.05243 Da
Monoisotopic Mass: 1.0
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]+	161.05971	129.5
[M+Na]+	183.04165	139.3
[M-H]-	159.04515	134.6
[M+NH4]+	178.08625	153.6
[M+K]+	199.01559	136.6
[M+H-H2O]+	143.04969	124.8
[M+HCOO]-	205.05063	153.9
[M+CH3COO]-	219.06628	176.6
[M+Na-2H]-	181.02710	135.7
[M]+	160.05188	130.2
[M]-	160.05298	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe