CID 3051618

Brn 0521480

Structural Information

Molecular Formula

C₁₆H₂₈N₂

SMILES

CC(=CCN1CC2CCC(C1)N2CC=C(C)C)C

InChI

InChI=1S/C16H28N2/c1-13(2)7-9-17-11-15-5-6-16(12-17)18(15)10-8-14(3)4/h7-8,15-16H,5-6,9-12H2,1-4H3

InChIKey

HUPYXFOFAIIBOP-UHFFFAOYSA-N

Compound name

3,8-bis(3-methylbut-2-enyl)-3,8-diazabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.22525 Da
Monoisotopic Mass: 3.7
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	167.5
[M+Na]+	271.214468	171.6
[M-H]-	247.217974	166.1
[M+NH4]+	266.259073	185.7
[M+K]+	287.188408	167.6
[M+H-H2O]+	231.222510	160.3
[M+HCOO]-	293.223451	180.0
[M+CH3COO]-	307.239101	198.8
[M+Na-2H]-	269.199916	165.4
[M]+	248.22470142	164.5
[M]-	248.22579858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.