CID 4183135

1-ethyluracil

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CCN1C=CC(=O)NC1=O
InChI
InChI=1S/C6H8N2O2/c1-2-8-4-3-5(9)7-6(8)10/h3-4H,2H2,1H3,(H,7,9,10)
InChIKey
KPLDRYODCDLNHB-UHFFFAOYSA-N
Compound name
1-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

213
Patents

140.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 123.9
[M+Na]+ 163.04780 134.7
[M-H]- 139.05130 124.4
[M+NH4]+ 158.09240 142.7
[M+K]+ 179.02174 132.1
[M+H-H2O]+ 123.05584 117.6
[M+HCOO]- 185.05678 146.2
[M+CH3COO]- 199.07243 169.7
[M+Na-2H]- 161.03325 131.9
[M]+ 140.05803 124.2
[M]- 140.05913 124.2
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