CID 135405387

6-ethyl-5-fluoro-4(3h)-pyrimidone

Structural Information

Molecular Formula
C6H7FN2O
SMILES
CCC1=C(C(=O)NC=N1)F
InChI
InChI=1S/C6H7FN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
InChIKey
ZEMRCKIJEFNNCO-UHFFFAOYSA-N
Compound name
4-ethyl-5-fluoro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

142.05424 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06152 124.2
[M+Na]+ 165.04346 134.8
[M-H]- 141.04696 123.2
[M+NH4]+ 160.08806 143.0
[M+K]+ 181.01740 131.9
[M+H-H2O]+ 125.05150 117.1
[M+HCOO]- 187.05244 145.0
[M+CH3COO]- 201.06809 171.1
[M+Na-2H]- 163.02891 131.6
[M]+ 142.05369 122.6
[M]- 142.05479 122.6
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

patents stripe