CID 86082177

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

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

CC#CCCN1CCCCC1

InChI

InChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H2,1H3

InChIKey

HKGWABQRWKHIBT-UHFFFAOYSA-N

Compound name

1-pent-3-ynylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 151.1361 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]+	152.14338	132.1
[M+Na]+	174.12532	139.1
[M-H]-	150.12882	131.9
[M+NH4]+	169.16992	149.6
[M+K]+	190.09926	135.6
[M+H-H2O]+	134.13336	119.7
[M+HCOO]-	196.13430	145.6
[M+CH3COO]-	210.14995	184.6
[M+Na-2H]-	172.11077	136.5
[M]+	151.13555	123.1
[M]-	151.13665	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe