CID 125342451

1160170-03-5

Structural Information

Molecular Formula
C14H14N2O5
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C=O
InChI
InChI=1S/C14H14N2O5/c17-8-12-7-16(14(19)21-12)11-3-1-10(2-4-11)15-5-6-20-9-13(15)18/h1-4,8,12H,5-7,9H2/t12-/m1/s1
InChIKey
UCLGSDDPMNXDBW-GFCCVEGCSA-N
Compound name
(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

290.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 163.6
[M+Na]+ 313.07949 170.6
[M-H]- 289.08299 171.8
[M+NH4]+ 308.12409 174.9
[M+K]+ 329.05343 169.8
[M+H-H2O]+ 273.08753 154.9
[M+HCOO]- 335.08847 179.9
[M+CH3COO]- 349.10412 198.5
[M+Na-2H]- 311.06494 164.8
[M]+ 290.08972 162.6
[M]- 290.09082 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe