CID 3011512

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

Structural Information

Molecular Formula
C9H11FN2O3
SMILES
C1[C@@H]([C@@]1(CN2C=CC(=O)NC2=O)F)CO
InChI
InChI=1S/C9H11FN2O3/c10-9(3-6(9)4-13)5-12-2-1-7(14)11-8(12)15/h1-2,6,13H,3-5H2,(H,11,14,15)/t6-,9-/m1/s1
InChIKey
NWEAOYOQKALRIO-HZGVNTEJSA-N
Compound name
1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.07536 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08264 146.8
[M+Na]+ 237.06458 159.1
[M-H]- 213.06808 148.8
[M+NH4]+ 232.10918 159.1
[M+K]+ 253.03852 154.0
[M+H-H2O]+ 197.07262 139.7
[M+HCOO]- 259.07356 165.8
[M+CH3COO]- 273.08921 183.8
[M+Na-2H]- 235.05003 152.4
[M]+ 214.07481 148.6
[M]- 214.07591 148.6
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.