CID 10376767

3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1COC(=O)N1C(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO4/c14-11(15)8-10(9-4-2-1-3-5-9)13-6-7-17-12(13)16/h1-5,10H,6-8H2,(H,14,15)
InChIKey
YNSLINIWXMFCJF-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 150.8
[M+Na]+ 258.07368 156.4
[M-H]- 234.07718 155.1
[M+NH4]+ 253.11828 166.2
[M+K]+ 274.04762 155.5
[M+H-H2O]+ 218.08172 143.7
[M+HCOO]- 280.08266 169.2
[M+CH3COO]- 294.09831 186.2
[M+Na-2H]- 256.05913 152.7
[M]+ 235.08391 149.8
[M]- 235.08501 149.8
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