CID 24723549

2-cyclobutanecarbonylpyridine

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

InChI=1S/C10H11NO/c12-10(8-4-3-5-8)9-6-1-2-7-11-9/h1-2,6-8H,3-5H2

InChIKey

JUFVVUQDXNEDAV-UHFFFAOYSA-N

Compound name

cyclobutyl(pyridin-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 161.08406 Da
Monoisotopic Mass: 1.8
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]+	162.091336	130.2
[M+Na]+	184.073278	135.8
[M-H]-	160.076784	135.1
[M+NH4]+	179.117883	142.8
[M+K]+	200.047218	137.0
[M+H-H2O]+	144.081320	118.1
[M+HCOO]-	206.082261	150.9
[M+CH3COO]-	220.097911	180.7
[M+Na-2H]-	182.058726	136.6
[M]+	161.08351142	136.9
[M]-	161.08460858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe