CID 9554011

90323-37-8

Structural Information

Molecular Formula
C9H7N3O6
SMILES
C1COC(=O)N1/N=C/C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O6/c13-6(5-10-11-3-4-17-9(11)14)7-1-2-8(18-7)12(15)16/h1-2,5H,3-4H2/b10-5+
InChIKey
TWEGUVWYPKXWSU-BJMVGYQFSA-N
Compound name
3-[(E)-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]amino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.03348 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04076 151.7
[M+Na]+ 276.02270 157.7
[M-H]- 252.02620 160.1
[M+NH4]+ 271.06730 166.9
[M+K]+ 291.99664 155.3
[M+H-H2O]+ 236.03074 149.5
[M+HCOO]- 298.03168 176.8
[M+CH3COO]- 312.04733 188.0
[M+Na-2H]- 274.00815 157.9
[M]+ 253.03293 152.4
[M]- 253.03403 152.4
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.