CID 10326

Indan

Structural Information

Molecular Formula

C₉H₁₀

SMILES

C1CC2=CC=CC=C2C1

InChI

InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

InChIKey

PQNFLJBBNBOBRQ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 198
References: 110782
Patents: 118.07825 Da
Monoisotopic Mass: 3.2
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]+	119.085526	121.7
[M+Na]+	141.067468	129.6
[M-H]-	117.070974	126.2
[M+NH4]+	136.112073	147.1
[M+K]+	157.041408	127.4
[M+H-H2O]+	101.075510	116.8
[M+HCOO]-	163.076451	145.7
[M+CH3COO]-	177.092101	136.6
[M+Na-2H]-	139.052916	129.7
[M]+	118.07770142	119.8
[M]-	118.07879858	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe