CID 3136

Dmnq

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

COC1=C(C(=O)C2=CC=CC=C2C1=O)OC

InChI

InChI=1S/C12H10O4/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2/h3-6H,1-2H3

InChIKey

ZEGDFCCYTFPECB-UHFFFAOYSA-N

Compound name

2,3-dimethoxynaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 146
References: 2155
Patents: 218.0579 Da
Monoisotopic Mass: 1.9
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]+	219.06518	143.3
[M+Na]+	241.04712	157.5
[M+NH4]+	236.09172	151.6
[M+K]+	257.02106	151.2
[M-H]-	217.05062	145.4
[M+Na-2H]-	239.03257	149.2
[M]+	218.05735	145.9
[M]-	218.05845	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe