CID 3050570

5-ethoxy-4-pyrimidinol

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CCOC1=CN=CNC1=O

InChI

InChI=1S/C6H8N2O2/c1-2-10-5-3-7-4-8-6(5)9/h3-4H,2H2,1H3,(H,7,8,9)

InChIKey

UHKRHNIGJXUSMF-UHFFFAOYSA-N

Compound name

5-ethoxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	125.1
[M+Na]+	163.04780	134.6
[M-H]-	139.05130	125.1
[M+NH4]+	158.09240	143.6
[M+K]+	179.02174	132.6
[M+H-H2O]+	123.05584	118.4
[M+HCOO]-	185.05678	147.2
[M+CH3COO]-	199.07243	169.3
[M+Na-2H]-	161.03325	133.8
[M]+	140.05803	125.6
[M]-	140.05913	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe