CID 135405387

137234-87-8

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

78
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 126.4
[M+Na]+ 165.04346 139.2
[M+NH4]+ 160.08806 133.3
[M+K]+ 181.01740 133.4
[M-H]- 141.04696 125.4
[M+Na-2H]- 163.02891 132.5
[M]+ 142.05369 127.7
[M]- 142.05479 127.7
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