CID 484768

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

Structural Information

Molecular Formula
C10H13FN2O3
SMILES
C1C[C@](C[C@H]1N2C=CC(=O)NC2=O)(CO)F
InChI
InChI=1S/C10H13FN2O3/c11-10(6-14)3-1-7(5-10)13-4-2-8(15)12-9(13)16/h2,4,7,14H,1,3,5-6H2,(H,12,15,16)/t7-,10-/m0/s1
InChIKey
YZPCWOFKCDTIOE-XVKPBYJWSA-N
Compound name
1-[(1S,3S)-3-fluoro-3-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09102 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09830 145.5
[M+Na]+ 251.08024 155.0
[M-H]- 227.08374 146.3
[M+NH4]+ 246.12484 163.4
[M+K]+ 267.05418 150.8
[M+H-H2O]+ 211.08828 138.1
[M+HCOO]- 273.08922 163.5
[M+CH3COO]- 287.10487 181.3
[M+Na-2H]- 249.06569 148.8
[M]+ 228.09047 141.8
[M]- 228.09157 141.8
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.