CID 472365

Uridine 3'-spiroxirane

Structural Information

Molecular Formula
C10H12N2O6
SMILES
C1C2(O1)[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)CO
InChI
InChI=1S/C10H12N2O6/c13-3-5-10(4-17-10)7(15)8(18-5)12-2-1-6(14)11-9(12)16/h1-2,5,7-8,13,15H,3-4H2,(H,11,14,16)/t5-,7+,8-,10?/m1/s1
InChIKey
NAEGIZSBDVIVLB-PELMPBBBSA-N
Compound name
1-[(4R,5R,7R)-4-hydroxy-7-(hydroxymethyl)-1,6-dioxaspiro[2.4]heptan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.06955 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07683 155.3
[M+Na]+ 279.05877 167.4
[M-H]- 255.06227 160.9
[M+NH4]+ 274.10337 164.7
[M+K]+ 295.03271 164.8
[M+H-H2O]+ 239.06681 149.6
[M+HCOO]- 301.06775 170.8
[M+CH3COO]- 315.08340 187.4
[M+Na-2H]- 277.04422 160.1
[M]+ 256.06900 159.3
[M]- 256.07010 159.3
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.