CID 3011516

1-[[(1s,2r)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13FN2O3
SMILES
CC1=CN(C(=O)NC1=O)C[C@@]2(C[C@@H]2CO)F
InChI
InChI=1S/C10H13FN2O3/c1-6-3-13(9(16)12-8(6)15)5-10(11)2-7(10)4-14/h3,7,14H,2,4-5H2,1H3,(H,12,15,16)/t7-,10-/m1/s1
InChIKey
WOBHDQGLBAIWTH-GMSGAONNSA-N
Compound name
1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.09102 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09830 150.5
[M+Na]+ 251.08024 163.2
[M-H]- 227.08374 152.7
[M+NH4]+ 246.12484 162.6
[M+K]+ 267.05418 157.9
[M+H-H2O]+ 211.08828 143.5
[M+HCOO]- 273.08922 169.1
[M+CH3COO]- 287.10487 187.9
[M+Na-2H]- 249.06569 154.9
[M]+ 228.09047 153.1
[M]- 228.09157 153.1
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.