CID 78232

Diglycolic anhydride

Structural Information

Molecular Formula

C₄H₄O₄

SMILES

C1C(=O)OC(=O)CO1

InChI

InChI=1S/C4H4O4/c5-3-1-7-2-4(6)8-3/h1-2H2

InChIKey

PIYNUZCGMLCXKJ-UHFFFAOYSA-N

Compound name

1,4-dioxane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5350
Patents: 116.010956 Da
Monoisotopic Mass: -0.4
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]+	117.01823	117.2
[M+Na]+	139.00017	128.8
[M+NH4]+	134.04478	125.1
[M+K]+	154.97411	125.2
[M-H]-	115.00368	120.4
[M+Na-2H]-	136.98562	121.5
[M]+	116.01041	119.6
[M]-	116.01150	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe