CID 211835

23598-64-3

Structural Information

Molecular Formula
C13H12N2O5
SMILES
C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O5/c1-2-7-19-9-12-8-14(13(16)20-12)10-3-5-11(6-4-10)15(17)18/h1,3-6,12H,7-9H2
InChIKey
UNPKQAWIAWFGBH-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07462 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08190 162.5
[M+Na]+ 299.06384 171.1
[M-H]- 275.06734 165.7
[M+NH4]+ 294.10844 174.5
[M+K]+ 315.03778 164.0
[M+H-H2O]+ 259.07188 152.5
[M+HCOO]- 321.07282 178.6
[M+CH3COO]- 335.08847 198.0
[M+Na-2H]- 297.04929 165.7
[M]+ 276.07407 157.0
[M]- 276.07517 157.0
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.