CID 13402

5-methylindan

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

CC1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C10H12/c1-8-5-6-9-3-2-4-10(9)7-8/h5-7H,2-4H2,1H3

InChIKey

RFXBCGVZEJEYGG-UHFFFAOYSA-N

Compound name

5-methyl-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 850
Patents: 132.0939 Da
Monoisotopic Mass: 3.1
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]+	133.101176	126.0
[M+Na]+	155.083118	134.4
[M-H]-	131.086624	130.7
[M+NH4]+	150.127723	151.1
[M+K]+	171.057058	131.9
[M+H-H2O]+	115.091160	121.2
[M+HCOO]-	177.092101	149.6
[M+CH3COO]-	191.107751	140.9
[M+Na-2H]-	153.068566	132.8
[M]+	132.09335142	124.8
[M]-	132.09444858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe