CID 67805693

1358802-65-9

Structural Information

Molecular Formula

C₉H₁₂O₇

SMILES

CCOC(=O)C1C(OC(=O)O1)C(=O)OCC

InChI

InChI=1S/C9H12O7/c1-3-13-7(10)5-6(8(11)14-4-2)16-9(12)15-5/h5-6H,3-4H2,1-2H3

InChIKey

KSWKOGWHUDSCFD-UHFFFAOYSA-N

Compound name

diethyl 2-oxo-1,3-dioxolane-4,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 232.0583 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]+	233.06558	145.2
[M+Na]+	255.04752	152.4
[M-H]-	231.05102	150.1
[M+NH4]+	250.09212	162.2
[M+K]+	271.02146	155.5
[M+H-H2O]+	215.05556	140.4
[M+HCOO]-	277.05650	165.8
[M+CH3COO]-	291.07215	187.3
[M+Na-2H]-	253.03297	148.1
[M]+	232.05775	151.6
[M]-	232.05885	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe