CID 139756

1-(prop-2-en-1-yl)piperidine

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C=CCN1CCCCC1

InChI

InChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2

InChIKey

KYGMSGYKSGNPHM-UHFFFAOYSA-N

Compound name

1-prop-2-enylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7002
Patents: 125.12045 Da
Monoisotopic Mass: 1.8
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]+	126.12773	128.3
[M+Na]+	148.10967	133.2
[M-H]-	124.11317	129.4
[M+NH4]+	143.15427	148.9
[M+K]+	164.08361	131.8
[M+H-H2O]+	108.11771	122.0
[M+HCOO]-	170.11865	147.7
[M+CH3COO]-	184.13430	171.3
[M+Na-2H]-	146.09512	134.1
[M]+	125.11990	123.3
[M]-	125.12100	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe