CID 5324556

Oosponol

Structural Information

Molecular Formula

C₁₁H₈O₅

SMILES

C1=CC2=C(C(=C1)O)C(=O)OC=C2C(=O)CO

InChI

InChI=1S/C11H8O5/c12-4-9(14)7-5-16-11(15)10-6(7)2-1-3-8(10)13/h1-3,5,12-13H,4H2

InChIKey

WRIZJEREXIDJCC-UHFFFAOYSA-N

Compound name

8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 18
Patents: 220.03717 Da
Monoisotopic Mass: 0.9
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]+	221.04445	142.3
[M+Na]+	243.02639	155.6
[M+NH4]+	238.07099	149.2
[M+K]+	259.00033	151.3
[M-H]-	219.02989	144.1
[M+Na-2H]-	241.01184	146.9
[M]+	220.03662	144.5
[M]-	220.03772	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe