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

2
Patents

238.05898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06626 148.3
[M+Na]+ 261.04820 155.2
[M-H]- 237.05170 153.5
[M+NH4]+ 256.09280 163.4
[M+K]+ 277.02214 149.9
[M+H-H2O]+ 221.05624 146.0
[M+HCOO]- 283.05718 170.0
[M+CH3COO]- 297.07283 180.8
[M+Na-2H]- 259.03365 154.3
[M]+ 238.05843 146.5
[M]- 238.05953 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