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]+ 182.09241 137.1
[M+Na]+ 204.07435 146.5
[M-H]- 180.07785 136.7
[M+NH4]+ 199.11895 153.6
[M+K]+ 220.04829 142.3
[M+H-H2O]+ 164.08239 130.0
[M+HCOO]- 226.08333 159.3
[M+CH3COO]- 240.09898 178.7
[M+Na-2H]- 202.05980 143.2
[M]+ 181.08458 135.5
[M]- 181.08568 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.