CID 68266

Beta-tetralone

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C1CC2=CC=CC=C2CC1=O

InChI

InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2

InChIKey

KCKZIWSINLBROE-UHFFFAOYSA-N

Compound name

3,4-dihydro-1H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 4050
Patents: 146.07317 Da
Monoisotopic Mass: 1.6
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	126.8
[M+Na]+	169.062388	134.4
[M-H]-	145.065894	131.2
[M+NH4]+	164.106993	149.2
[M+K]+	185.036328	131.8
[M+H-H2O]+	129.070430	121.3
[M+HCOO]-	191.071371	148.6
[M+CH3COO]-	205.087021	174.7
[M+Na-2H]-	167.047836	135.2
[M]+	146.07262142	124.1
[M]-	146.07371858	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe