CID 688249

23632-67-9

Structural Information

Molecular Formula
C14H15NO6
SMILES
C1N([C@H](C(=O)O1)CCC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H15NO6/c16-12(17)7-6-11-13(18)21-9-15(11)14(19)20-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)/t11-/m0/s1
InChIKey
AYOCGDFDOZVEKT-NSHDSACASA-N
Compound name
3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

293.08994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09722 165.2
[M+Na]+ 316.07916 174.1
[M+NH4]+ 311.12376 169.5
[M+K]+ 332.05310 173.1
[M-H]- 292.08266 165.8
[M+Na-2H]- 314.06461 167.5
[M]+ 293.08939 166.1
[M]- 293.09049 166.1
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