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

38619
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

literature stripe

Patent stripe

patents stripe