CID 379157

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

Structural Information

Molecular Formula
C7H9NO4
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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe