CID 114549

Benzyl (s)-2,5-dioxooxazolidine-4-acetate

Structural Information

Molecular Formula
C12H11NO5
SMILES
C1=CC=C(C=C1)COC(=O)CC2C(=O)OC(=O)N2
InChI
InChI=1S/C12H11NO5/c14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)
InChIKey
QNIPTEJAZIWFHH-UHFFFAOYSA-N
Compound name
benzyl 2-(2,5-dioxo-1,3-oxazolidin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

249.06372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 151.8
[M+Na]+ 272.05294 158.9
[M-H]- 248.05644 156.5
[M+NH4]+ 267.09754 167.0
[M+K]+ 288.02688 157.5
[M+H-H2O]+ 232.06098 144.8
[M+HCOO]- 294.06192 171.7
[M+CH3COO]- 308.07757 187.3
[M+Na-2H]- 270.03839 154.5
[M]+ 249.06317 152.5
[M]- 249.06427 152.5
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