CID 479154

4-amino-1-[[(1s,3r)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H11F2N3O2
SMILES
C1=CN(C(=O)N=C1N)C[C@@H]2[C@@H](C2(F)F)CO
InChI
InChI=1S/C9H11F2N3O2/c10-9(11)5(6(9)4-15)3-14-2-1-7(12)13-8(14)16/h1-2,5-6,15H,3-4H2,(H2,12,13,16)/t5-,6+/m1/s1
InChIKey
FVZQWBPZGXZYBO-RITPCOANSA-N
Compound name
4-amino-1-[[(1S,3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.08194 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08922 148.2
[M+Na]+ 254.07116 160.8
[M-H]- 230.07466 150.0
[M+NH4]+ 249.11576 160.2
[M+K]+ 270.04510 155.6
[M+H-H2O]+ 214.07920 140.0
[M+HCOO]- 276.08014 167.7
[M+CH3COO]- 290.09579 192.9
[M+Na-2H]- 252.05661 152.5
[M]+ 231.08139 148.7
[M]- 231.08249 148.7
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.