CID 473827

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

Structural Information

Molecular Formula
C10H14N2O3
SMILES
C1C[C@H](C[C@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H14N2O3/c13-6-7-1-2-8(5-7)12-4-3-9(14)11-10(12)15/h3-4,7-8,13H,1-2,5-6H2,(H,11,14,15)/t7-,8+/m0/s1
InChIKey
JDAMSPOUKFALSO-JGVFFNPUSA-N
Compound name
1-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.10045 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 144.0
[M+Na]+ 233.08967 152.5
[M-H]- 209.09317 145.8
[M+NH4]+ 228.13427 160.7
[M+K]+ 249.06361 148.5
[M+H-H2O]+ 193.09771 136.8
[M+HCOO]- 255.09865 163.0
[M+CH3COO]- 269.11430 179.1
[M+Na-2H]- 231.07512 146.5
[M]+ 210.09990 141.0
[M]- 210.10100 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.