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

67
Patents

293.08994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.097216 163.8
[M+Na]+ 316.079158 169.5
[M-H]- 292.082664 168.2
[M+NH4]+ 311.123763 177.0
[M+K]+ 332.053098 168.8
[M+H-H2O]+ 276.087200 156.3
[M+HCOO]- 338.088141 182.1
[M+CH3COO]- 352.103791 195.8
[M+Na-2H]- 314.064606 164.4
[M]+ 293.08939142 165.9
[M]- 293.09048858 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