CID 3025549

5-ethoxy-2-ethyl-4-pyrimidinol

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CCC1=NC=C(C(=O)N1)OCC

InChI

InChI=1S/C8H12N2O2/c1-3-7-9-5-6(12-4-2)8(11)10-7/h5H,3-4H2,1-2H3,(H,9,10,11)

InChIKey

WKIRQZURYDLAMH-UHFFFAOYSA-N

Compound name

5-ethoxy-2-ethyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.08987 Da
Monoisotopic Mass: 0.3
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]+	169.09715	134.0
[M+Na]+	191.07909	143.6
[M-H]-	167.08259	134.1
[M+NH4]+	186.12369	151.7
[M+K]+	207.05303	141.2
[M+H-H2O]+	151.08713	127.2
[M+HCOO]-	213.08807	155.4
[M+CH3COO]-	227.10372	176.6
[M+Na-2H]-	189.06454	140.9
[M]+	168.08932	135.7
[M]-	168.09042	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe