CID 16074138

1-[(e)-4-aminobut-2-enyl]-5-fluoro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H10FN3O2
SMILES
C1=C(C(=O)NC(=O)N1C/C=C/CN)F
InChI
InChI=1S/C8H10FN3O2/c9-6-5-12(4-2-1-3-10)8(14)11-7(6)13/h1-2,5H,3-4,10H2,(H,11,13,14)/b2-1+
InChIKey
BSSHPNTXIMNZKU-OWOJBTEDSA-N
Compound name
1-[(E)-4-aminobut-2-enyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.0757 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08298 139.5
[M+Na]+ 222.06492 149.8
[M-H]- 198.06842 138.0
[M+NH4]+ 217.10952 155.4
[M+K]+ 238.03886 145.2
[M+H-H2O]+ 182.07296 131.6
[M+HCOO]- 244.07390 160.6
[M+CH3COO]- 258.08955 182.6
[M+Na-2H]- 220.05037 144.2
[M]+ 199.07515 137.1
[M]- 199.07625 137.1
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

No patent data available for this compound.