CID 64982455

3-cyclobutanecarbonylpyridine

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

InChI=1S/C10H11NO/c12-10(8-3-1-4-8)9-5-2-6-11-7-9/h2,5-8H,1,3-4H2

InChIKey

KOWVQNDOXUJRRZ-UHFFFAOYSA-N

Compound name

cyclobutyl(pyridin-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.08406 Da
Monoisotopic Mass: 1.4
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]+	162.09134	130.2
[M+Na]+	184.07328	135.8
[M-H]-	160.07678	135.1
[M+NH4]+	179.11788	142.8
[M+K]+	200.04722	137.0
[M+H-H2O]+	144.08132	118.1
[M+HCOO]-	206.08226	150.9
[M+CH3COO]-	220.09791	180.7
[M+Na-2H]-	182.05873	136.6
[M]+	161.08351	136.9
[M]-	161.08461	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe