CID 58563

2-(2-piperidinoethyl)-1-tetralone

Structural Information

Molecular Formula

C₁₇H₂₃NO

SMILES

C1CCN(CC1)CCC2CCC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H23NO/c19-17-15(10-13-18-11-4-1-5-12-18)9-8-14-6-2-3-7-16(14)17/h2-3,6-7,15H,1,4-5,8-13H2

InChIKey

OLYOMTHVPHBVSF-UHFFFAOYSA-N

Compound name

2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 257.17798 Da
Monoisotopic Mass: 3.3
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]+	258.185256	162.0
[M+Na]+	280.167198	165.6
[M-H]-	256.170704	166.2
[M+NH4]+	275.211803	177.9
[M+K]+	296.141138	160.9
[M+H-H2O]+	240.175240	153.0
[M+HCOO]-	302.176181	176.9
[M+CH3COO]-	316.191831	171.6
[M+Na-2H]-	278.152646	164.9
[M]+	257.17743142	155.4
[M]-	257.17852858	155.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.