CID 24723549

Cyclobutyl 2-pyridyl ketone

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: 13
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]+	162.09134	131.7
[M+Na]+	184.07328	140.0
[M+NH4]+	179.11788	136.6
[M+K]+	200.04722	135.7
[M-H]-	160.07678	132.0
[M+Na-2H]-	182.05873	137.5
[M]+	161.08351	131.7
[M]-	161.08461	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe