CID 379157

3-(1,3-dioxobutyl)oxazolidin-2-one

Structural Information

Molecular Formula

SMILES

CC(=O)CC(=O)N1CCOC1=O

InChI

InChI=1S/C7H9NO4/c1-5(9)4-6(10)8-2-3-12-7(8)11/h2-4H2,1H3

InChIKey

GDGGLKMFUADUEH-UHFFFAOYSA-N

Compound name

1-(2-oxo-1,3-oxazolidin-3-yl)butane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.05316 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]+	172.060436	133.1
[M+Na]+	194.042378	140.4
[M-H]-	170.045884	135.9
[M+NH4]+	189.086983	152.3
[M+K]+	210.016318	141.6
[M+H-H2O]+	154.050420	127.5
[M+HCOO]-	216.051361	153.4
[M+CH3COO]-	230.067011	176.5
[M+Na-2H]-	192.027826	136.0
[M]+	171.05261142	133.9
[M]-	171.05370858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.