CID 78654

1-butylpiperidine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CCCCN1CCCCC1

InChI

InChI=1S/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3

InChIKey

AXWLKJWVMMAXBD-UHFFFAOYSA-N

Compound name

1-butylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4333
Patents: 141.15175 Da
Monoisotopic Mass: 2.4
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]+	142.159026	134.2
[M+Na]+	164.140968	138.5
[M-H]-	140.144474	135.1
[M+NH4]+	159.185573	154.3
[M+K]+	180.114908	137.4
[M+H-H2O]+	124.149010	127.7
[M+HCOO]-	186.149951	153.1
[M+CH3COO]-	200.165601	175.2
[M+Na-2H]-	162.126416	139.4
[M]+	141.15120142	130.3
[M]-	141.15229858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe