CID 11116198

2,3-dihydro-1h-indene-1-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C1CC2=CC=CC=C2C1C=O

InChI

InChI=1S/C10H10O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6H2

InChIKey

CMKDJMDGRSJZIS-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 831
Patents: 146.07317 Da
Monoisotopic Mass: 1.7
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]+	147.08045	128.2
[M+Na]+	169.06239	136.9
[M-H]-	145.06589	132.9
[M+NH4]+	164.10699	152.6
[M+K]+	185.03633	134.2
[M+H-H2O]+	129.07043	123.3
[M+HCOO]-	191.07137	152.2
[M+CH3COO]-	205.08702	174.4
[M+Na-2H]-	167.04784	135.0
[M]+	146.07262	127.7
[M]-	146.07372	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe