CID 22238288

42060-82-2

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2CCNCC2

InChI

InChI=1S/C15H21NO/c1-11(2)12-3-5-13(6-4-12)15(17)14-7-9-16-10-8-14/h3-6,11,14,16H,7-10H2,1-2H3

InChIKey

YONKWXGFPWDXOL-UHFFFAOYSA-N

Compound name

piperidin-4-yl-(4-propan-2-ylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 231.16231 Da
Monoisotopic Mass: 2.8
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]+	232.169586	155.9
[M+Na]+	254.151528	159.2
[M-H]-	230.155034	158.6
[M+NH4]+	249.196133	171.2
[M+K]+	270.125468	155.6
[M+H-H2O]+	214.159570	148.1
[M+HCOO]-	276.160511	171.2
[M+CH3COO]-	290.176161	190.1
[M+Na-2H]-	252.136976	156.9
[M]+	231.16176142	149.6
[M]-	231.16285858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe