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	125.8
[M+Na]+	146.09402	133.1
[M-H]-	122.09752	124.6
[M+NH4]+	141.13862	143.6
[M+K]+	162.06796	129.2
[M+H-H2O]+	106.10206	114.0
[M+HCOO]-	168.10300	138.5
[M+CH3COO]-	182.11865	177.3
[M+Na-2H]-	144.07947	130.6
[M]+	123.10425	114.5
[M]-	123.10535	114.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe