CID 9570128

Gs 1772

Structural Information

Molecular Formula
C8H9N3O6
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)OCCO
InChI
InChI=1S/C8H9N3O6/c12-3-4-16-8(13)10-9-5-6-1-2-7(17-6)11(14)15/h1-2,5,12H,3-4H2,(H,10,13)/b9-5+
InChIKey
ZEOZJBSXGJMHAQ-WEVVVXLNSA-N
Compound name
2-hydroxyethyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04913 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05641 147.9
[M+Na]+ 266.03835 153.1
[M-H]- 242.04185 152.2
[M+NH4]+ 261.08295 163.8
[M+K]+ 282.01229 149.8
[M+H-H2O]+ 226.04639 145.4
[M+HCOO]- 288.04733 175.6
[M+CH3COO]- 302.06298 185.8
[M+Na-2H]- 264.02380 156.0
[M]+ 243.04858 149.2
[M]- 243.04968 149.2
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.