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: 1
Patents: 196.12119 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.128466	142.9
[M+Na]+	219.110408	152.4
[M-H]-	195.113914	141.6
[M+NH4]+	214.155013	159.0
[M+K]+	235.084348	148.0
[M+H-H2O]+	179.118450	136.3
[M+HCOO]-	241.119391	162.3
[M+CH3COO]-	255.135041	180.5
[M+Na-2H]-	217.095856	147.4
[M]+	196.12064142	143.1
[M]-	196.12173858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe