CID 5377910

Griseoxanthone c

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)OC)O)O

InChI

InChI=1S/C15H12O5/c1-7-3-8(16)4-11-13(7)15(18)14-10(17)5-9(19-2)6-12(14)20-11/h3-6,16-17H,1-2H3

InChIKey

UIKVQKMDLQHSKA-UHFFFAOYSA-N

Compound name

1,6-dihydroxy-3-methoxy-8-methylxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 272.06848 Da
Monoisotopic Mass: 3.1
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]+	273.075756	155.6
[M+Na]+	295.057698	168.6
[M-H]-	271.061204	161.2
[M+NH4]+	290.102303	172.4
[M+K]+	311.031638	165.9
[M+H-H2O]+	255.065740	149.1
[M+HCOO]-	317.066681	176.2
[M+CH3COO]-	331.082331	196.9
[M+Na-2H]-	293.043146	163.7
[M]+	272.06793142	162.5
[M]-	272.06902858	162.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.