CID 135934488

1423024-50-3

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CC(C1)C2=CC(=O)NC=N2

InChI

InChI=1S/C8H10N2O/c11-8-4-7(9-5-10-8)6-2-1-3-6/h4-6H,1-3H2,(H,9,10,11)

InChIKey

HRFKBSKWXGWARS-UHFFFAOYSA-N

Compound name

4-cyclobutyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 150.07932 Da
Monoisotopic Mass: 0.4
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]+	151.08660	126.9
[M+Na]+	173.06854	134.1
[M-H]-	149.07204	129.5
[M+NH4]+	168.11314	138.4
[M+K]+	189.04248	134.3
[M+H-H2O]+	133.07658	114.6
[M+HCOO]-	195.07752	146.4
[M+CH3COO]-	209.09317	175.2
[M+Na-2H]-	171.05399	134.2
[M]+	150.07877	132.6
[M]-	150.07987	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe