CID 73267

5-ethyluracil

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CCC1=CNC(=O)NC1=O

InChI

InChI=1S/C6H8N2O2/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10)

InChIKey

RHIULBJJKFDJPR-UHFFFAOYSA-N

Compound name

5-ethyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 3300
Patents: 140.05858 Da
Monoisotopic Mass: -0.2
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]+	141.06586	126.1
[M+Na]+	163.04780	138.9
[M+NH4]+	158.09240	132.6
[M+K]+	179.02174	133.9
[M-H]-	139.05130	125.3
[M+Na-2H]-	161.03325	131.7
[M]+	140.05803	127.4
[M]-	140.05913	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe