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 160.6
[M+Na]+ 312.08425 170.1
[M-H]- 288.08775 163.9
[M+NH4]+ 307.12885 173.2
[M+K]+ 328.05819 166.9
[M+H-H2O]+ 272.09229 146.7
[M+HCOO]- 334.09323 175.1
[M+CH3COO]- 348.10888 205.3
[M+Na-2H]- 310.06970 160.9
[M]+ 289.09448 158.6
[M]- 289.09558 158.6
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.