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]+ 212.10297 144.5
[M+Na]+ 234.08491 153.3
[M-H]- 210.08841 145.0
[M+NH4]+ 229.12951 159.6
[M+K]+ 250.05885 149.4
[M+H-H2O]+ 194.09295 136.5
[M+HCOO]- 256.09389 162.3
[M+CH3COO]- 270.10954 179.0
[M+Na-2H]- 232.07036 147.3
[M]+ 211.09514 141.6
[M]- 211.09624 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.