CID 54555009

4-cyclobutylpiperidine

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC(C1)C2CCNCC2

InChI

InChI=1S/C9H17N/c1-2-8(3-1)9-4-6-10-7-5-9/h8-10H,1-7H2

InChIKey

LOOQDRUYWDSXME-UHFFFAOYSA-N

Compound name

4-cyclobutylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 139.1361 Da
Monoisotopic Mass: 2.2
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]+	140.14338	131.2
[M+Na]+	162.12532	137.3
[M+NH4]+	157.16992	136.7
[M+K]+	178.09926	132.7
[M-H]-	138.12882	131.5
[M+Na-2H]-	160.11077	134.9
[M]+	139.13555	130.8
[M]-	139.13665	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe