CID 16074137

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

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1=CN(C(=O)NC1=O)C/C=C/CN
InChI
InChI=1S/C8H11N3O2/c9-4-1-2-5-11-6-3-7(12)10-8(11)13/h1-3,6H,4-5,9H2,(H,10,12,13)/b2-1+
InChIKey
UODJZVYXBIKSFF-OWOJBTEDSA-N
Compound name
1-[(E)-4-aminobut-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

181.08513 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 137.1
[M+Na]+ 204.074348 146.5
[M-H]- 180.077854 136.7
[M+NH4]+ 199.118953 153.6
[M+K]+ 220.048288 142.3
[M+H-H2O]+ 164.082390 130.0
[M+HCOO]- 226.083331 159.3
[M+CH3COO]- 240.098981 178.7
[M+Na-2H]- 202.059796 143.2
[M]+ 181.08458142 135.5
[M]- 181.08567858 135.5
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.