CID 82076

7603-37-4

Structural Information

Molecular Formula

C₉H₁₂

SMILES

C1CC2=C(C1)CC=CC2

InChI

InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2H,3-7H2

InChIKey

PJEOOBRBALZZSL-UHFFFAOYSA-N

Compound name

2,3,4,7-tetrahydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 120.0939 Da
Monoisotopic Mass: 2.1
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]+	121.101176	123.7
[M+Na]+	143.083118	130.5
[M-H]-	119.086624	127.8
[M+NH4]+	138.127723	148.9
[M+K]+	159.057058	128.5
[M+H-H2O]+	103.091160	118.7
[M+HCOO]-	165.092101	146.1
[M+CH3COO]-	179.107751	138.0
[M+Na-2H]-	141.068566	130.6
[M]+	120.09335142	120.2
[M]-	120.09444858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe