CID 98484

5426-09-5

Structural Information

Molecular Formula

C₈H₆O₄

SMILES

C1=CC2C3C(C1O2)C(=O)OC3=O

InChI

InChI=1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H

InChIKey

QQYNRBAAQFZCLF-UHFFFAOYSA-N

Compound name

4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 2252
Patents: 166.02661 Da
Monoisotopic Mass: -0.5
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]+	167.03389	128.9
[M+Na]+	189.01583	138.2
[M+NH4]+	184.06043	137.9
[M+K]+	204.98977	140.2
[M-H]-	165.01933	130.8
[M+Na-2H]-	187.00128	128.0
[M]+	166.02606	130.5
[M]-	166.02716	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe