CID 4231377

3,6-dioxabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula

C₄H₂O₄

SMILES

C12C(O1)C(=O)OC2=O

InChI

InChI=1S/C4H2O4/c5-3-1-2(7-1)4(6)8-3/h1-2H

InChIKey

ILABOOGTVTXVFN-UHFFFAOYSA-N

Compound name

3,6-dioxabicyclo[3.1.0]hexane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 113.99531 Da
Monoisotopic Mass: -0.6
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]+	115.002586	116.4
[M+Na]+	136.984528	129.2
[M-H]-	112.988034	124.0
[M+NH4]+	132.029133	134.7
[M+K]+	152.958468	129.6
[M+H-H2O]+	96.992570	112.2
[M+HCOO]-	158.993511	138.8
[M+CH3COO]-	173.009161	170.0
[M+Na-2H]-	134.969976	125.6
[M]+	113.99476142	122.6
[M]-	113.99585858	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe