CID 114549

Einecs 237-026-9

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

61
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.