CID 9576143

Furazolidone, denitro-

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1COC(=O)N1/N=C/C2=CC=CO2
InChI
InChI=1S/C8H8N2O3/c11-8-10(3-5-13-8)9-6-7-2-1-4-12-7/h1-2,4,6H,3,5H2/b9-6+
InChIKey
JZSCDNDWOSCSJX-RMKNXTFCSA-N
Compound name
3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 134.2
[M+Na]+ 203.04272 142.2
[M-H]- 179.04622 142.3
[M+NH4]+ 198.08732 153.8
[M+K]+ 219.01666 143.6
[M+H-H2O]+ 163.05076 128.0
[M+HCOO]- 225.05170 159.5
[M+CH3COO]- 239.06735 180.1
[M+Na-2H]- 201.02817 140.3
[M]+ 180.05295 135.9
[M]- 180.05405 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.