CID 16727960

5-[(2s,4s,5s)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1[C@@H]([C@@H](N[C@@H]1C2=CNC(=O)NC2=O)CO)O
InChI
InChI=1S/C9H13N3O4/c13-3-6-7(14)1-5(11-6)4-2-10-9(16)12-8(4)15/h2,5-7,11,13-14H,1,3H2,(H2,10,12,15,16)/t5-,6-,7-/m0/s1
InChIKey
GDUQXXRGHHXTBO-ACZMJKKPSA-N
Compound name
5-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0906 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 149.7
[M+Na]+ 250.07982 157.9
[M-H]- 226.08332 146.5
[M+NH4]+ 245.12442 162.2
[M+K]+ 266.05376 152.1
[M+H-H2O]+ 210.08786 142.6
[M+HCOO]- 272.08880 163.1
[M+CH3COO]- 286.10445 176.0
[M+Na-2H]- 248.06527 150.3
[M]+ 227.09005 143.1
[M]- 227.09115 143.1
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.