CID 72721

5407-46-5

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O

InChI

InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3

InChIKey

TZVNNUHRZXQCHM-UHFFFAOYSA-N

Compound name

2,6,7-trihydroxy-9-methylxanthen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 84
Patents: 258.05283 Da
Monoisotopic Mass: 1.2
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]+	259.06011	152.7
[M+Na]+	281.04205	168.4
[M+NH4]+	276.08665	160.5
[M+K]+	297.01599	162.9
[M-H]-	257.04555	155.9
[M+Na-2H]-	279.02750	157.2
[M]+	258.05228	155.9
[M]-	258.05338	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe