CID 207254

5-butyl-6-methyluracil

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CCCCC1=C(NC(=O)NC1=O)C

InChI

InChI=1S/C9H14N2O2/c1-3-4-5-7-6(2)10-9(13)11-8(7)12/h3-5H2,1-2H3,(H2,10,11,12,13)

InChIKey

VGPMMOYTFOLFEJ-UHFFFAOYSA-N

Compound name

5-butyl-6-methyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 182.10553 Da
Monoisotopic Mass: 1.3
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]+	183.11281	138.4
[M+Na]+	205.09475	148.4
[M-H]-	181.09825	137.3
[M+NH4]+	200.13935	155.1
[M+K]+	221.06869	144.1
[M+H-H2O]+	165.10279	132.0
[M+HCOO]-	227.10373	158.1
[M+CH3COO]-	241.11938	177.5
[M+Na-2H]-	203.08020	143.4
[M]+	182.10498	138.2
[M]-	182.10608	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe