CID 3011518

4-amino-1-[[(1s,2r)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H12FN3O2
SMILES
C1[C@@H]([C@@]1(CN2C=CC(=NC2=O)N)F)CO
InChI
InChI=1S/C9H12FN3O2/c10-9(3-6(9)4-14)5-13-2-1-7(11)12-8(13)15/h1-2,6,14H,3-5H2,(H2,11,12,15)/t6-,9-/m1/s1
InChIKey
FMTDRDHBJYPERN-HZGVNTEJSA-N
Compound name
4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.09135 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09863 147.2
[M+Na]+ 236.08057 158.9
[M-H]- 212.08407 150.0
[M+NH4]+ 231.12517 159.7
[M+K]+ 252.05451 154.3
[M+H-H2O]+ 196.08861 139.7
[M+HCOO]- 258.08955 167.8
[M+CH3COO]- 272.10520 189.0
[M+Na-2H]- 234.06602 152.7
[M]+ 213.09080 148.4
[M]- 213.09190 148.4
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.