CID 66545199

4-{[(3,4-dimethoxyphenyl)amino]methyl}piperidin-4-ol

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

COC1=C(C=C(C=C1)NCC2(CCNCC2)O)OC

InChI

InChI=1S/C14H22N2O3/c1-18-12-4-3-11(9-13(12)19-2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3

InChIKey

WBLBTNJLRSTNFA-UHFFFAOYSA-N

Compound name

4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.16306 Da
Monoisotopic Mass: 1.1
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]+	267.170336	161.9
[M+Na]+	289.152278	166.3
[M-H]-	265.155784	163.8
[M+NH4]+	284.196883	177.1
[M+K]+	305.126218	163.1
[M+H-H2O]+	249.160320	154.3
[M+HCOO]-	311.161261	179.3
[M+CH3COO]-	325.176911	193.7
[M+Na-2H]-	287.137726	166.4
[M]+	266.16251142	158.3
[M]-	266.16360858	158.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.