CID 5493675

1,3,6-trihydroxy-5-methoxyxanthone

Structural Information

Molecular Formula

C₁₄H₁₀O₆

SMILES

COC1=C(C=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O

InChI

InChI=1S/C14H10O6/c1-19-14-8(16)3-2-7-12(18)11-9(17)4-6(15)5-10(11)20-13(7)14/h2-5,15-17H,1H3

InChIKey

OIDDYVZHNYQRKQ-UHFFFAOYSA-N

Compound name

1,3,6-trihydroxy-5-methoxyxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 274.04773 Da
Monoisotopic Mass: 2.4
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]+	275.05501	155.5
[M+Na]+	297.03695	171.5
[M+NH4]+	292.08155	162.7
[M+K]+	313.01089	166.3
[M-H]-	273.04045	158.4
[M+Na-2H]-	295.02240	160.4
[M]+	274.04718	158.7
[M]-	274.04828	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe