CID 3083597

Ayapin

Structural Information

Molecular Formula

C₁₀H₆O₄

SMILES

C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3

InChI

InChI=1S/C10H6O4/c11-10-2-1-6-3-8-9(13-5-12-8)4-7(6)14-10/h1-4H,5H2

InChIKey

MLQTZXHZYMNZJE-UHFFFAOYSA-N

Compound name

[1,3]dioxolo[4,5-g]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 70
Patents: 190.02661 Da
Monoisotopic Mass: 1.7
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]+	191.03389	132.5
[M+Na]+	213.01583	147.4
[M+NH4]+	208.06043	142.0
[M+K]+	228.98977	143.9
[M-H]-	189.01933	139.0
[M+Na-2H]-	211.00128	137.4
[M]+	190.02606	136.6
[M]-	190.02716	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe