CID 13213

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

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

CC1CC2=CC=CC=C2C1

InChI

InChI=1S/C10H12/c1-8-6-9-4-2-3-5-10(9)7-8/h2-5,8H,6-7H2,1H3

InChIKey

MWGYLUXMIMSOTM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1232
Patents: 132.0939 Da
Monoisotopic Mass: 3.0
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]+	133.10118	126.0
[M+Na]+	155.08312	134.4
[M-H]-	131.08662	130.7
[M+NH4]+	150.12772	151.1
[M+K]+	171.05706	131.9
[M+H-H2O]+	115.09116	121.2
[M+HCOO]-	177.09210	149.6
[M+CH3COO]-	191.10775	140.9
[M+Na-2H]-	153.06857	132.8
[M]+	132.09335	124.8
[M]-	132.09445	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe