CID 515083

[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] nitrate

Structural Information

Molecular Formula
C9H11N3O7
SMILES
C1C(C(OC1N2C=CC(=O)NC2=O)CO)O[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O7/c13-4-6-5(19-12(16)17)3-8(18-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)
InChIKey
FWHIZMZQPHLUAG-UHFFFAOYSA-N
Compound name
[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0597 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06698 152.3
[M+Na]+ 296.04892 159.6
[M-H]- 272.05242 155.3
[M+NH4]+ 291.09352 163.8
[M+K]+ 312.02286 154.1
[M+H-H2O]+ 256.05696 149.3
[M+HCOO]- 318.05790 171.9
[M+CH3COO]- 332.07355 183.3
[M+Na-2H]- 294.03437 158.3
[M]+ 273.05915 151.1
[M]- 273.06025 151.1
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.