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]+ 236.091736 150.8
[M+Na]+ 258.073678 156.4
[M-H]- 234.077184 155.1
[M+NH4]+ 253.118283 166.2
[M+K]+ 274.047618 155.5
[M+H-H2O]+ 218.081720 143.7
[M+HCOO]- 280.082661 169.2
[M+CH3COO]- 294.098311 186.2
[M+Na-2H]- 256.059126 152.7
[M]+ 235.08391142 149.8
[M]- 235.08500858 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