CID 441318

2-formyl-1-indanone

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C1C(C(=O)C2=CC=CC=C21)C=O

InChI

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

InChIKey

NWROWRUAPHQSLF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 18
Patents: 160.05243 Da
Monoisotopic Mass: 1.4
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	131.2
[M+Na]+	183.04165	144.0
[M+NH4]+	178.08625	140.6
[M+K]+	199.01559	138.8
[M-H]-	159.04515	133.3
[M+Na-2H]-	181.02710	136.9
[M]+	160.05188	133.5
[M]-	160.05298	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe