CID 2775866

5-ethylpyrimidine-4,6-diol

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CCC1=C(N=CNC1=O)O

InChI

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

InChIKey

PYZFNSYJSDPLHL-UHFFFAOYSA-N

Compound name

5-ethyl-4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 140.05858 Da
Monoisotopic Mass: -0.1
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	126.4
[M+Na]+	163.04780	139.3
[M+NH4]+	158.09240	133.3
[M+K]+	179.02174	134.3
[M-H]-	139.05130	126.0
[M+Na-2H]-	161.03325	132.3
[M]+	140.05803	127.9
[M]-	140.05913	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe