CID 16871

2-methoxy-1,4-naphthoquinone

Structural Information

Molecular Formula

C₁₁H₈O₃

SMILES

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

InChI

InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3

InChIKey

OBGBGHKYJAOXRR-UHFFFAOYSA-N

Compound name

2-methoxynaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 54
References: 924
Patents: 188.04735 Da
Monoisotopic Mass: 1.4
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]+	189.05463	134.0
[M+Na]+	211.03657	144.2
[M-H]-	187.04007	139.4
[M+NH4]+	206.08117	155.2
[M+K]+	227.01051	141.8
[M+H-H2O]+	171.04461	128.4
[M+HCOO]-	233.04555	157.5
[M+CH3COO]-	247.06120	183.0
[M+Na-2H]-	209.02202	141.6
[M]+	188.04680	136.1
[M]-	188.04790	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe