CID 104680591

3-(but-3-yn-1-yl)piperidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CCCC1CCCNC1

InChI

InChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h1,9-10H,3-8H2

InChIKey

VNKHNNLSVPIISX-UHFFFAOYSA-N

Compound name

3-but-3-ynylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.12045 Da
Monoisotopic Mass: 1.5
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]+	138.12773	129.7
[M+Na]+	160.10967	136.6
[M-H]-	136.11317	128.3
[M+NH4]+	155.15427	146.9
[M+K]+	176.08361	132.5
[M+H-H2O]+	120.11771	117.7
[M+HCOO]-	182.11865	142.1
[M+CH3COO]-	196.13430	180.1
[M+Na-2H]-	158.09512	134.0
[M]+	137.11990	118.7
[M]-	137.12100	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.