CID 44151211

13641-84-4

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1COC(=O)N1/N=C/C2=CC=C(O2)N
InChI
InChI=1S/C8H9N3O3/c9-7-2-1-6(14-7)5-10-11-3-4-13-8(11)12/h1-2,5H,3-4,9H2/b10-5+
InChIKey
SHZQPZHRROVVMS-BJMVGYQFSA-N
Compound name
3-[(E)-(5-aminofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 138.8
[M+Na]+ 218.053608 146.7
[M-H]- 194.057114 146.8
[M+NH4]+ 213.098213 157.4
[M+K]+ 234.027548 147.5
[M+H-H2O]+ 178.061650 132.2
[M+HCOO]- 240.062591 164.4
[M+CH3COO]- 254.078241 185.7
[M+Na-2H]- 216.039056 143.6
[M]+ 195.06384142 139.2
[M]- 195.06493858 139.2
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

No patent data available for this compound.