CID 82631

1-(6-hydroxy-2-naphthyl)ethan-1-one

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

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

InChI

InChI=1S/C12H10O2/c1-8(13)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-7,14H,1H3

InChIKey

IWRHUCBSLVVLJD-UHFFFAOYSA-N

Compound name

1-(6-hydroxynaphthalen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 186.06808 Da
Monoisotopic Mass: 2.7
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]+	187.075356	136.8
[M+Na]+	209.057298	145.8
[M-H]-	185.060804	140.6
[M+NH4]+	204.101903	157.3
[M+K]+	225.031238	142.5
[M+H-H2O]+	169.065340	131.3
[M+HCOO]-	231.066281	158.5
[M+CH3COO]-	245.081931	181.5
[M+Na-2H]-	207.042746	143.7
[M]+	186.06753142	137.1
[M]-	186.06862858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe