CID 3049193

64589-67-9

Structural Information

Molecular Formula
C10H10N2O5
SMILES
C1C(OC(=O)N1C2=CC(=CC=C2)[N+](=O)[O-])CO
InChI
InChI=1S/C10H10N2O5/c13-6-9-5-11(10(14)17-9)7-2-1-3-8(4-7)12(15)16/h1-4,9,13H,5-6H2
InChIKey
GBBIODRPZQHADX-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-(3-nitrophenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.05898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.066256 148.3
[M+Na]+ 261.048198 155.2
[M-H]- 237.051704 153.5
[M+NH4]+ 256.092803 163.4
[M+K]+ 277.022138 149.9
[M+H-H2O]+ 221.056240 146.0
[M+HCOO]- 283.057181 170.0
[M+CH3COO]- 297.072831 180.8
[M+Na-2H]- 259.033646 154.3
[M]+ 238.05843142 146.5
[M]- 238.05952858 146.5
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

patents stripe