CID 15132189

3-(prop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C#CCC1CCCNC1

InChI

InChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h1,8-9H,3-7H2

InChIKey

CWTDXYQGBZFAGI-UHFFFAOYSA-N

Compound name

3-prop-2-ynylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 123.1048 Da
Monoisotopic Mass: 1.1
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]+	124.11208	130.5
[M+Na]+	146.09402	141.2
[M+NH4]+	141.13862	135.7
[M+K]+	162.06796	131.7
[M-H]-	122.09752	123.9
[M+Na-2H]-	144.07947	132.8
[M]+	123.10425	129.2
[M]-	123.10535	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe