CID 3062839

5-butyl-6-ethyluracil

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCCCC1=C(NC(=O)NC1=O)CC
InChI
InChI=1S/C10H16N2O2/c1-3-5-6-7-8(4-2)11-10(14)12-9(7)13/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKey
KXDDSAOCUJOCEE-UHFFFAOYSA-N
Compound name
5-butyl-6-ethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 142.9
[M+Na]+ 219.11041 152.4
[M-H]- 195.11391 141.6
[M+NH4]+ 214.15501 159.0
[M+K]+ 235.08435 148.0
[M+H-H2O]+ 179.11845 136.3
[M+HCOO]- 241.11939 162.3
[M+CH3COO]- 255.13504 180.5
[M+Na-2H]- 217.09586 147.4
[M]+ 196.12064 143.1
[M]- 196.12174 143.1
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

patents stripe