CID 56773843

4-[(phenylamino)methyl]piperidin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

C1CNCCC1(CNC2=CC=CC=C2)O

InChI

InChI=1S/C12H18N2O/c15-12(6-8-13-9-7-12)10-14-11-4-2-1-3-5-11/h1-5,13-15H,6-10H2

InChIKey

BGZVNEQHXCWLLO-UHFFFAOYSA-N

Compound name

4-(anilinomethyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 206.1419 Da
Monoisotopic Mass: 1.2
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]+	207.149176	147.5
[M+Na]+	229.131118	151.1
[M-H]-	205.134624	149.0
[M+NH4]+	224.175723	164.6
[M+K]+	245.105058	147.1
[M+H-H2O]+	189.139160	140.1
[M+HCOO]-	251.140101	165.2
[M+CH3COO]-	265.155751	181.0
[M+Na-2H]-	227.116566	154.2
[M]+	206.14135142	139.4
[M]-	206.14244858	139.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.