CID 77309

3-methoxyxanthone

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C14H10O3/c1-16-9-6-7-11-13(8-9)17-12-5-3-2-4-10(12)14(11)15/h2-8H,1H3

InChIKey

HGWDKWJYTURSFE-UHFFFAOYSA-N

Compound name

3-methoxyxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 143
Patents: 226.06299 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]+	227.07027	143.4
[M+Na]+	249.05221	155.6
[M-H]-	225.05571	150.9
[M+NH4]+	244.09681	162.9
[M+K]+	265.02615	153.1
[M+H-H2O]+	209.06025	136.6
[M+HCOO]-	271.06119	167.3
[M+CH3COO]-	285.07684	158.5
[M+Na-2H]-	247.03766	155.0
[M]+	226.06244	149.4
[M]-	226.06354	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe