CID 6707

1-methoxyanthraquinone

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

COC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3

InChIKey

CQGDBBBZCJYDRY-UHFFFAOYSA-N

Compound name

1-methoxyanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1006
Patents: 238.06299 Da
Monoisotopic Mass: 3.3
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]+	239.070266	147.8
[M+Na]+	261.052208	158.4
[M-H]-	237.055714	154.0
[M+NH4]+	256.096813	168.0
[M+K]+	277.026148	154.4
[M+H-H2O]+	221.060250	141.1
[M+HCOO]-	283.061191	169.5
[M+CH3COO]-	297.076841	194.2
[M+Na-2H]-	259.037656	155.5
[M]+	238.06244142	150.3
[M]-	238.06353858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe