CID 82561

10342-85-5

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CC(=O)C1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C13H17NO/c1-11(15)12-5-7-13(8-6-12)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3

InChIKey

JCMZZYSPSGHBNM-UHFFFAOYSA-N

Compound name

1-(4-piperidin-1-ylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 841
Patents: 203.13101 Da
Monoisotopic Mass: 3.1
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]+	204.13829	146.4
[M+Na]+	226.12023	151.2
[M-H]-	202.12373	150.8
[M+NH4]+	221.16483	163.6
[M+K]+	242.09417	148.5
[M+H-H2O]+	186.12827	138.5
[M+HCOO]-	248.12921	164.9
[M+CH3COO]-	262.14486	185.8
[M+Na-2H]-	224.10568	150.1
[M]+	203.13046	141.8
[M]-	203.13156	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe