CID 135591009

124703-79-3

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

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

InChI

InChI=1S/C7H10N2O/c1-3-6-5(2)7(10)9-4-8-6/h4H,3H2,1-2H3,(H,8,9,10)

InChIKey

QOLDIHHLPPKRRD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 138.07932 Da
Monoisotopic Mass: 0.5
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]+	139.08660	126.3
[M+Na]+	161.06854	136.5
[M-H]-	137.07204	126.6
[M+NH4]+	156.11314	145.3
[M+K]+	177.04248	133.8
[M+H-H2O]+	121.07658	120.0
[M+HCOO]-	183.07752	147.9
[M+CH3COO]-	197.09317	171.5
[M+Na-2H]-	159.05399	133.8
[M]+	138.07877	126.2
[M]-	138.07987	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe