CID 13155986

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

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CCCN1CCCCC1

InChI

InChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h1H,3-9H2

InChIKey

QUZHDOSFNAEDGG-UHFFFAOYSA-N

Compound name

1-but-3-ynylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 137.12045 Da
Monoisotopic Mass: 1.7
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	133.9
[M+Na]+	160.10967	144.9
[M+NH4]+	155.15427	139.4
[M+K]+	176.08361	134.9
[M-H]-	136.11317	127.8
[M+Na-2H]-	158.09512	136.6
[M]+	137.11990	132.8
[M]-	137.12100	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe