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

60
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 163.8
[M+Na]+ 316.07916 169.5
[M-H]- 292.08266 168.2
[M+NH4]+ 311.12376 177.0
[M+K]+ 332.05310 168.8
[M+H-H2O]+ 276.08720 156.3
[M+HCOO]- 338.08814 182.1
[M+CH3COO]- 352.10379 195.8
[M+Na-2H]- 314.06461 164.4
[M]+ 293.08939 165.9
[M]- 293.09049 165.9
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