CID 7219

Indene

Structural Information

Molecular Formula

C₉H₈

SMILES

C1C=CC2=CC=CC=C21

InChI

InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2

InChIKey

YBYIRNPNPLQARY-UHFFFAOYSA-N

Compound name

1H-indene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 374
References: 125049
Patents: 116.0626 Da
Monoisotopic Mass: 2.9
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]+	117.069876	119.9
[M+Na]+	139.051818	128.8
[M-H]-	115.055324	124.7
[M+NH4]+	134.096423	145.4
[M+K]+	155.025758	126.4
[M+H-H2O]+	99.059860	115.0
[M+HCOO]-	161.060801	145.3
[M+CH3COO]-	175.076451	135.4
[M+Na-2H]-	137.037266	128.9
[M]+	116.06205142	119.4
[M]-	116.06314858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe