CID 11196175

1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-nitro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H11N3O6
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O6/c13-4-5-1-2-7(18-5)11-3-6(12(16)17)8(14)10-9(11)15/h3,5,7,13H,1-2,4H2,(H,10,14,15)/t5-,7+/m0/s1
InChIKey
DXUHFXFBCYEFPE-CAHLUQPWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.0648 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07208 150.2
[M+Na]+ 280.05402 157.8
[M-H]- 256.05752 153.3
[M+NH4]+ 275.09862 162.6
[M+K]+ 296.02796 151.7
[M+H-H2O]+ 240.06206 147.4
[M+HCOO]- 302.06300 169.7
[M+CH3COO]- 316.07865 180.9
[M+Na-2H]- 278.03947 155.9
[M]+ 257.06425 147.7
[M]- 257.06535 147.7
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.