CID 19097419

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

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C=CCC1CCCNC1

InChI

InChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h2,8-9H,1,3-7H2

InChIKey

DOVPSHLIYFKBPI-UHFFFAOYSA-N

Compound name

3-prop-2-enylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 125.12045 Da
Monoisotopic Mass: 1.6
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]+	126.127726	129.2
[M+Na]+	148.109668	133.7
[M-H]-	124.113174	128.9
[M+NH4]+	143.154273	149.1
[M+K]+	164.083608	131.3
[M+H-H2O]+	108.117710	123.2
[M+HCOO]-	170.118651	147.1
[M+CH3COO]-	184.134301	168.5
[M+Na-2H]-	146.095116	134.4
[M]+	125.11990142	122.3
[M]-	125.12099858	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe