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
2
Annotation Hits

0
References

79
Patents

142.05424 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.061516 124.2
[M+Na]+ 165.043458 134.8
[M-H]- 141.046964 123.2
[M+NH4]+ 160.088063 143.0
[M+K]+ 181.017398 131.9
[M+H-H2O]+ 125.051500 117.1
[M+HCOO]- 187.052441 145.0
[M+CH3COO]- 201.068091 171.1
[M+Na-2H]- 163.028906 131.6
[M]+ 142.05369142 122.6
[M]- 142.05478858 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