CID 488453

1-[(1s,3r)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H13N3O3
SMILES
C1CN(C[C@@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H13N3O3/c13-6-7-1-3-11(5-7)12-4-2-8(14)10-9(12)15/h2,4,7,13H,1,3,5-6H2,(H,10,14,15)/t7-/m1/s1
InChIKey
SNCJCWCXEDFKAX-SSDOTTSWSA-N
Compound name
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09569 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 144.5
[M+Na]+ 234.084908 153.3
[M-H]- 210.088414 145.0
[M+NH4]+ 229.129513 159.6
[M+K]+ 250.058848 149.4
[M+H-H2O]+ 194.092950 136.5
[M+HCOO]- 256.093891 162.3
[M+CH3COO]- 270.109541 179.0
[M+Na-2H]- 232.070356 147.3
[M]+ 211.09514142 141.6
[M]- 211.09623858 141.6
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.