CID 139030

3-hydroxy-1h-phenalen-1-one

Structural Information

Molecular Formula

C₁₃H₈O₂

SMILES

C1=CC2=C3C(=C1)C(=CC(=O)C3=CC=C2)O

InChI

InChI=1S/C13H8O2/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7,14H

InChIKey

DXBYIIARRIMNFJ-UHFFFAOYSA-N

Compound name

3-hydroxyphenalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 40
Patents: 196.05243 Da
Monoisotopic Mass: 2.5
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]+	197.05971	137.8
[M+Na]+	219.04165	153.9
[M+NH4]+	214.08625	148.4
[M+K]+	235.01559	145.7
[M-H]-	195.04515	141.4
[M+Na-2H]-	217.02710	145.1
[M]+	196.05188	141.3
[M]-	196.05298	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe