CID 249262

2-methyl-1-indanone

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CC1CC2=CC=CC=C2C1=O

InChI

InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3

InChIKey

BEKNOGMQVKBMQN-UHFFFAOYSA-N

Compound name

2-methyl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 840
Patents: 146.07317 Da
Monoisotopic Mass: 2.2
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]+	147.080446	127.6
[M+Na]+	169.062388	137.2
[M-H]-	145.065894	132.7
[M+NH4]+	164.106993	152.3
[M+K]+	185.036328	134.5
[M+H-H2O]+	129.070430	122.9
[M+HCOO]-	191.071371	151.5
[M+CH3COO]-	205.087021	175.5
[M+Na-2H]-	167.047836	133.7
[M]+	146.07262142	127.5
[M]-	146.07371858	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe