CID 296916

1,6-dimethoxynaphthalene

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

COC1=CC2=C(C=C1)C(=CC=C2)OC

InChI

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

InChIKey

RBUFUWIWCCOVOS-UHFFFAOYSA-N

Compound name

1,6-dimethoxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 464
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	137.5
[M+Na]+	211.07294	146.9
[M-H]-	187.07644	142.6
[M+NH4]+	206.11754	158.8
[M+K]+	227.04688	144.7
[M+H-H2O]+	171.08098	131.5
[M+HCOO]-	233.08192	161.5
[M+CH3COO]-	247.09757	184.1
[M+Na-2H]-	209.05839	146.1
[M]+	188.08317	140.9
[M]-	188.08427	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe