CID 481583

4-amino-1-[(4s,6r)-6-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-4-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H13N3O4
SMILES
C1C2[C@H](O[C@@]1(CO2)N3C=CC(=NC3=O)N)CO
InChI
InChI=1S/C10H13N3O4/c11-8-1-2-13(9(15)12-8)10-3-6(16-5-10)7(4-14)17-10/h1-2,6-7,14H,3-5H2,(H2,11,12,15)/t6?,7-,10+/m1/s1
InChIKey
TXPYNEDWEUMAQV-XUQLKEEQSA-N
Compound name
4-amino-1-[(1S,3R)-3-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 147.1
[M+Na]+ 262.079818 156.5
[M-H]- 238.083324 151.0
[M+NH4]+ 257.124423 165.5
[M+K]+ 278.053758 155.9
[M+H-H2O]+ 222.087860 141.5
[M+HCOO]- 284.088801 165.1
[M+CH3COO]- 298.104451 159.8
[M+Na-2H]- 260.065266 152.7
[M]+ 239.09005142 148.4
[M]- 239.09114858 148.4
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.