CID 206356

Brn 0566957

Structural Information

Molecular Formula
C15H15NO5
SMILES
CC(=O)OC1=CC=C(C=C1)N2CC(OC2=O)COCC#C
InChI
InChI=1S/C15H15NO5/c1-3-8-19-10-14-9-16(15(18)21-14)12-4-6-13(7-5-12)20-11(2)17/h1,4-7,14H,8-10H2,2H3
InChIKey
YNRXSTTUNTYSDZ-UHFFFAOYSA-N
Compound name
[4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 163.0
[M+Na]+ 312.08425 173.5
[M+NH4]+ 307.12885 165.1
[M+K]+ 328.05819 167.6
[M-H]- 288.08775 156.8
[M+Na-2H]- 310.06970 163.6
[M]+ 289.09448 161.6
[M]- 289.09558 161.6
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

No patent data available for this compound.