CID 40378

52414-60-5

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

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

InChI

InChI=1S/C14H21NO/c1-14(2,16)12-6-8-13(9-7-12)15-10-4-3-5-11-15/h6-9,16H,3-5,10-11H2,1-2H3

InChIKey

JGTLMSXILSHCMY-UHFFFAOYSA-N

Compound name

2-(4-piperidin-1-ylphenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 219.16231 Da
Monoisotopic Mass: 2.7
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]+	220.169586	152.6
[M+Na]+	242.151528	157.1
[M-H]-	218.155034	155.6
[M+NH4]+	237.196133	168.7
[M+K]+	258.125468	153.7
[M+H-H2O]+	202.159570	145.3
[M+HCOO]-	264.160511	168.5
[M+CH3COO]-	278.176161	186.6
[M+Na-2H]-	240.136976	157.2
[M]+	219.16176142	147.4
[M]-	219.16285858	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.