CID 59464935

13822-45-2

Structural Information

Molecular Formula
C13H13NO5
SMILES
C1=CC=C(C=C1)COC(=O)CC[C@@H]2C(=O)OC(=O)N2
InChI
InChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17)/t10-/m1/s1
InChIKey
UGCBVSDSTGUPBC-SNVBAGLBSA-N
Compound name
benzyl 3-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

263.07938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 158.4
[M+Na]+ 286.06860 168.4
[M+NH4]+ 281.11320 163.6
[M+K]+ 302.04254 166.1
[M-H]- 262.07210 159.7
[M+Na-2H]- 284.05405 161.6
[M]+ 263.07883 159.7
[M]- 263.07993 159.7
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

patents stripe