CID 3838116

31466-51-0

Structural Information

Molecular Formula

C₁₄H₂₂N₂O

SMILES

COC1=CC=C(C=C1)C(CN)N2CCCCC2

InChI

InChI=1S/C14H22N2O/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3

InChIKey

AJXUGVNIFNKCNF-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 24
Patents: 234.17322 Da
Monoisotopic Mass: 1.7
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]+	235.18050	156.5
[M+Na]+	257.16244	159.7
[M-H]-	233.16594	160.0
[M+NH4]+	252.20704	171.8
[M+K]+	273.13638	156.9
[M+H-H2O]+	217.17048	147.9
[M+HCOO]-	279.17142	174.8
[M+CH3COO]-	293.18707	193.9
[M+Na-2H]-	255.14789	159.0
[M]+	234.17267	151.2
[M]-	234.17377	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe