CID 3021746

Uracil, 5-butyl-3,6-dimethyl-

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCCCC1=C(NC(=O)N(C1=O)C)C
InChI
InChI=1S/C10H16N2O2/c1-4-5-6-8-7(2)11-10(14)12(3)9(8)13/h4-6H2,1-3H3,(H,11,14)
InChIKey
CUYNUTWZCBOQKV-UHFFFAOYSA-N
Compound name
5-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 141.4
[M+Na]+ 219.110408 152.3
[M-H]- 195.113914 142.0
[M+NH4]+ 214.155013 158.6
[M+K]+ 235.084348 148.8
[M+H-H2O]+ 179.118450 134.9
[M+HCOO]- 241.119391 162.3
[M+CH3COO]- 255.135041 184.3
[M+Na-2H]- 217.095856 145.8
[M]+ 196.12064142 143.9
[M]- 196.12173858 143.9
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.