CID 5273937

1-(2-fluoro-2-hydroxymethyl-cyclopropylidenemethyl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H11FN2O3
SMILES
CC1=CN(C(=O)NC1=O)C=C2CC2(CO)F
InChI
InChI=1S/C10H11FN2O3/c1-6-3-13(9(16)12-8(6)15)4-7-2-10(7,11)5-14/h3-4,14H,2,5H2,1H3,(H,12,15,16)
InChIKey
OYRBYBVEHLIDQD-UHFFFAOYSA-N
Compound name
1-[[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.07536 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08264 150.0
[M+Na]+ 249.06458 163.1
[M-H]- 225.06808 152.2
[M+NH4]+ 244.10918 162.1
[M+K]+ 265.03852 157.1
[M+H-H2O]+ 209.07262 143.1
[M+HCOO]- 271.07356 168.8
[M+CH3COO]- 285.08921 186.5
[M+Na-2H]- 247.05003 154.4
[M]+ 226.07481 151.8
[M]- 226.07591 151.8
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.