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]+ 240.09788 147.1
[M+Na]+ 262.07982 156.5
[M-H]- 238.08332 151.0
[M+NH4]+ 257.12442 165.5
[M+K]+ 278.05376 155.9
[M+H-H2O]+ 222.08786 141.5
[M+HCOO]- 284.08880 165.1
[M+CH3COO]- 298.10445 159.8
[M+Na-2H]- 260.06527 152.7
[M]+ 239.09005 148.4
[M]- 239.09115 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.