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 151.6
[M+Na]+ 258.07368 161.5
[M+NH4]+ 253.11828 157.8
[M+K]+ 274.04762 159.7
[M-H]- 234.07718 153.5
[M+Na-2H]- 256.05913 155.6
[M]+ 235.08391 153.2
[M]- 235.08501 153.2
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