CID 125303145

Sideretin (reduced form)

Structural Information

Molecular Formula

C₁₀H₈O₆

SMILES

COC1=C(C(=C2C(=C1O)C=CC(=O)O2)O)O

InChI

InChI=1S/C10H8O6/c1-15-10-6(12)4-2-3-5(11)16-9(4)7(13)8(10)14/h2-3,12-14H,1H3

InChIKey

WMAQKVUYHVUULI-UHFFFAOYSA-N

Compound name

5,7,8-trihydroxy-6-methoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 224.03209 Da
Monoisotopic Mass: 0.8
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]+	225.03937	142.1
[M+Na]+	247.02131	155.7
[M+NH4]+	242.06591	148.6
[M+K]+	262.99525	152.1
[M-H]-	223.02481	143.5
[M+Na-2H]-	245.00676	145.9
[M]+	224.03154	144.3
[M]-	224.03264	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe