CID 5273936

4-amino-1-(2-fluoro-2-hydroxymethyl-cyclopropylidenemethyl)-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C9H10FN3O2
SMILES
C1C(=CN2C=CC(=NC2=O)N)C1(CO)F
InChI
InChI=1S/C9H10FN3O2/c10-9(5-14)3-6(9)4-13-2-1-7(11)12-8(13)15/h1-2,4,14H,3,5H2,(H2,11,12,15)
InChIKey
FHXLBYISIUKBIK-UHFFFAOYSA-N
Compound name
4-amino-1-[[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.0757 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08298 146.8
[M+Na]+ 234.06492 158.9
[M-H]- 210.06842 149.7
[M+NH4]+ 229.10952 159.4
[M+K]+ 250.03886 153.7
[M+H-H2O]+ 194.07296 139.5
[M+HCOO]- 256.07390 167.6
[M+CH3COO]- 270.08955 187.6
[M+Na-2H]- 232.05037 152.3
[M]+ 211.07515 147.3
[M]- 211.07625 147.3
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.