CID 71669

Naphthonone

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

C1CCC(=O)C(C1)C2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C16H16O2/c17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)18/h1-2,5-6,9-10,13,18H,3-4,7-8H2

InChIKey

FQCYCLSYFLSHKF-UHFFFAOYSA-N

Compound name

2-(2-hydroxynaphthalen-1-yl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 240.11504 Da
Monoisotopic Mass: 3.5
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]+	241.12232	153.0
[M+Na]+	263.10426	159.6
[M-H]-	239.10776	158.9
[M+NH4]+	258.14886	170.8
[M+K]+	279.07820	154.8
[M+H-H2O]+	223.11230	145.8
[M+HCOO]-	285.11324	171.2
[M+CH3COO]-	299.12889	164.6
[M+Na-2H]-	261.08971	157.6
[M]+	240.11449	148.6
[M]-	240.11559	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe