CID 4559150

128311-06-8

Structural Information

Molecular Formula

C₁₅H₂₂N₂

SMILES

CC(C1=CC=CC=C1)NC2CN3CCC2CC3

InChI

InChI=1S/C15H22N2/c1-12(13-5-3-2-4-6-13)16-15-11-17-9-7-14(15)8-10-17/h2-6,12,14-16H,7-11H2,1H3

InChIKey

YUJLYFFNXJRLDW-UHFFFAOYSA-N

Compound name

N-(1-phenylethyl)-1-azabicyclo[2.2.2]octan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 230.1783 Da
Monoisotopic Mass: 2.3
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]+	231.185576	150.7
[M+Na]+	253.167518	152.4
[M-H]-	229.171024	148.4
[M+NH4]+	248.212123	171.0
[M+K]+	269.141458	148.9
[M+H-H2O]+	213.175560	143.4
[M+HCOO]-	275.176501	161.1
[M+CH3COO]-	289.192151	159.4
[M+Na-2H]-	251.152966	160.7
[M]+	230.17775142	148.6
[M]-	230.17884858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe