CID 82337

1,4-dimethoxynaphthalene

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

COC1=CC=C(C2=CC=CC=C21)OC

InChI

InChI=1S/C12H12O2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-8H,1-2H3

InChIKey

FWWRTYBQQDXLDD-UHFFFAOYSA-N

Compound name

1,4-dimethoxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1688
Patents: 188.08372 Da
Monoisotopic Mass: 3.6
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]+	189.09100	137.8
[M+Na]+	211.07294	153.1
[M+NH4]+	206.11754	147.9
[M+K]+	227.04688	145.2
[M-H]-	187.07644	141.6
[M+Na-2H]-	209.05839	146.2
[M]+	188.08317	141.3
[M]-	188.08427	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe