CID 89274316

Schembl14213185

Structural Information

Molecular Formula
C8H7N3O4
SMILES
C1COC(=O)N1/N=C/C2=CC=C(O2)N=O
InChI
InChI=1S/C8H7N3O4/c12-8-11(3-4-14-8)9-5-6-1-2-7(10-13)15-6/h1-2,5H,3-4H2/b9-5+
InChIKey
DSWQEURCIKDMDO-WEVVVXLNSA-N
Compound name
3-[(E)-(5-nitrosofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.04366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.050936 139.3
[M+Na]+ 232.032878 147.7
[M-H]- 208.036384 149.2
[M+NH4]+ 227.077483 158.1
[M+K]+ 248.006818 149.8
[M+H-H2O]+ 192.040920 132.5
[M+HCOO]- 254.041861 167.4
[M+CH3COO]- 268.057511 190.2
[M+Na-2H]- 230.018326 145.8
[M]+ 209.04311142 143.2
[M]- 209.04420858 143.2
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