CID 3021669

3,6-dimethyl-5-ethyluracil

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CCC1=C(NC(=O)N(C1=O)C)C

InChI

InChI=1S/C8H12N2O2/c1-4-6-5(2)9-8(12)10(3)7(6)11/h4H2,1-3H3,(H,9,12)

InChIKey

OOKYGLJIVQNEGX-UHFFFAOYSA-N

Compound name

5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 168.08987 Da
Monoisotopic Mass: 0.4
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]+	169.09715	134.4
[M+Na]+	191.07909	148.2
[M+NH4]+	186.12369	141.0
[M+K]+	207.05303	142.7
[M-H]-	167.08259	134.2
[M+Na-2H]-	189.06454	139.7
[M]+	168.08932	136.1
[M]-	168.09042	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe