CID 589669

7-methyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CC1=C2C(=CC=C1)CCC2=O

InChI

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

InChIKey

DOXALDISRDZGNV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 267
Patents: 146.07317 Da
Monoisotopic Mass: 2.0
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]+	147.08045	127.6
[M+Na]+	169.06239	137.2
[M-H]-	145.06589	132.7
[M+NH4]+	164.10699	152.3
[M+K]+	185.03633	134.5
[M+H-H2O]+	129.07043	122.9
[M+HCOO]-	191.07137	151.5
[M+CH3COO]-	205.08702	175.5
[M+Na-2H]-	167.04784	133.7
[M]+	146.07262	127.5
[M]-	146.07372	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe