CID 47679

Brn 0397236

Structural Information

Molecular Formula

C₁₆H₂₈N₂

SMILES

CCN(CC)CCCC1=C(C=C2N1CCCC2)C

InChI

InChI=1S/C16H28N2/c1-4-17(5-2)11-8-10-16-14(3)13-15-9-6-7-12-18(15)16/h13H,4-12H2,1-3H3

InChIKey

XRKIGRHENJSYGE-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.22525 Da
Monoisotopic Mass: 3.2
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]+	249.232526	164.1
[M+Na]+	271.214468	168.8
[M-H]-	247.217974	167.4
[M+NH4]+	266.259073	183.5
[M+K]+	287.188408	166.2
[M+H-H2O]+	231.222510	156.4
[M+HCOO]-	293.223451	184.2
[M+CH3COO]-	307.239101	203.7
[M+Na-2H]-	269.199916	165.2
[M]+	248.22470142	164.8
[M]-	248.22579858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.