CID 125329358

1160170-07-9

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₆

SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C(=O)O

InChI

InChI=1S/C14H14N2O6/c17-12-8-21-6-5-15(12)9-1-3-10(4-2-9)16-7-11(13(18)19)22-14(16)20/h1-4,11H,5-8H2,(H,18,19)/t11-/m1/s1

InChIKey

SRPDKSYHAUEWIX-LLVKDONJSA-N

Compound name

(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 306.08517 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.092446	166.4
[M+Na]+	329.074388	172.4
[M-H]-	305.077894	173.3
[M+NH4]+	324.118993	176.1
[M+K]+	345.048328	172.0
[M+H-H2O]+	289.082430	158.0
[M+HCOO]-	351.083371	180.3
[M+CH3COO]-	365.099021	199.6
[M+Na-2H]-	327.059836	166.4
[M]+	306.08462142	164.5
[M]-	306.08571858	164.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.