CID 10130031

5-methyl-1-indanone

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CC1=CC2=C(C=C1)C(=O)CC2

InChI

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

InChIKey

KBHCTNGQJOEDDC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 506
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	128.4
[M+Na]+	169.06239	141.7
[M+NH4]+	164.10699	138.8
[M+K]+	185.03633	136.1
[M-H]-	145.06589	131.3
[M+Na-2H]-	167.04784	134.8
[M]+	146.07262	131.2
[M]-	146.07372	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe