CID 77506

2-acetyl-6-methoxynaphthalene

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

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

InChI

InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3

InChIKey

GGWCZBGAIGGTDA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 970
Patents: 200.08372 Da
Monoisotopic Mass: 3.2
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]+	201.09100	141.6
[M+Na]+	223.07294	156.4
[M+NH4]+	218.11754	151.1
[M+K]+	239.04688	149.0
[M-H]-	199.07644	144.9
[M+Na-2H]-	221.05839	149.3
[M]+	200.08317	144.8
[M]-	200.08427	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe