CID 4630072

3-butylpiperidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CCCCC1CCCNC1

InChI

InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3

InChIKey

HWWOYRDUDOPLLL-UHFFFAOYSA-N

Compound name

3-butylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 141.15175 Da
Monoisotopic Mass: 2.5
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	135.0
[M+Na]+	164.140968	138.8
[M-H]-	140.144474	134.5
[M+NH4]+	159.185573	154.3
[M+K]+	180.114908	136.8
[M+H-H2O]+	124.149010	128.7
[M+HCOO]-	186.149951	152.4
[M+CH3COO]-	200.165601	172.5
[M+Na-2H]-	162.126416	139.7
[M]+	141.15120142	129.2
[M]-	141.15229858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe