CID 5272912

1-(1-fluoromethyl-4-hydroxy-butyl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H15FN2O3
SMILES
CC1=CN(C(=O)NC1=O)C(CCCO)CF
InChI
InChI=1S/C10H15FN2O3/c1-7-6-13(10(16)12-9(7)15)8(5-11)3-2-4-14/h6,8,14H,2-5H2,1H3,(H,12,15,16)
InChIKey
UHMBFKDZZFPPNI-UHFFFAOYSA-N
Compound name
1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10667 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11395 148.2
[M+Na]+ 253.09589 157.3
[M-H]- 229.09939 145.6
[M+NH4]+ 248.14049 162.7
[M+K]+ 269.06983 153.4
[M+H-H2O]+ 213.10393 140.4
[M+HCOO]- 275.10487 165.7
[M+CH3COO]- 289.12052 186.3
[M+Na-2H]- 251.08134 150.9
[M]+ 230.10612 148.1
[M]- 230.10722 148.1
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.