CID 43157

Eniluracil

Structural Information

Molecular Formula
C6H4N2O2
SMILES
C#CC1=CNC(=O)NC1=O
InChI
InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
InChIKey
JOZGNYDSEBIJDH-UHFFFAOYSA-N
Compound name
5-ethynyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

114
References

35780
Patents

136.02728 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03456 125.0
[M+Na]+ 159.01650 136.8
[M-H]- 135.02000 122.5
[M+NH4]+ 154.06110 140.7
[M+K]+ 174.99044 132.5
[M+H-H2O]+ 119.02454 112.7
[M+HCOO]- 181.02548 139.9
[M+CH3COO]- 195.04113 175.3
[M+Na-2H]- 157.00195 130.9
[M]+ 136.02673 117.2
[M]- 136.02783 117.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.