CID 65432

Glycolide

Structural Information

Molecular Formula

C₄H₄O₄

SMILES

C1C(=O)OCC(=O)O1

InChI

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

InChIKey

RKDVKSZUMVYZHH-UHFFFAOYSA-N

Compound name

1,4-dioxane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 100701
Patents: 116.010956 Da
Monoisotopic Mass: -0.2
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]+	117.018232	115.0
[M+Na]+	139.000174	123.0
[M-H]-	115.003680	120.2
[M+NH4]+	134.044779	134.9
[M+K]+	154.974114	125.8
[M+H-H2O]+	99.008216	110.4
[M+HCOO]-	161.009157	136.4
[M+CH3COO]-	175.024807	165.0
[M+Na-2H]-	136.985622	124.6
[M]+	116.01040742	115.0
[M]-	116.01150458	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe