CID 897567

77251-50-4

Structural Information

Molecular Formula

C₁₆H₂₃NO

SMILES

CCCC(=O)N1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H23NO/c1-2-6-16(18)17-11-9-15(10-12-17)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3

InChIKey

BJHVZCJXHHPAQV-UHFFFAOYSA-N

Compound name

1-(4-benzylpiperidin-1-yl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 245.17796 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]+	246.18524	160.4
[M+Na]+	268.16718	164.0
[M-H]-	244.17068	164.2
[M+NH4]+	263.21178	175.9
[M+K]+	284.14112	160.5
[M+H-H2O]+	228.17522	151.8
[M+HCOO]-	290.17616	177.8
[M+CH3COO]-	304.19181	194.2
[M+Na-2H]-	266.15263	162.4
[M]+	245.17741	156.7
[M]-	245.17851	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.