CID 343885

1859-37-6

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CN1CCC(CC1)(CN)C2=CC=CC=C2

InChI

InChI=1S/C13H20N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-11,14H2,1H3

InChIKey

WHJANSWOSODZBT-UHFFFAOYSA-N

Compound name

(1-methyl-4-phenylpiperidin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 82
Patents: 204.16264 Da
Monoisotopic Mass: 1.6
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]+	205.169916	148.5
[M+Na]+	227.151858	153.6
[M-H]-	203.155364	152.6
[M+NH4]+	222.196463	167.4
[M+K]+	243.125798	150.3
[M+H-H2O]+	187.159900	140.8
[M+HCOO]-	249.160841	168.1
[M+CH3COO]-	263.176491	187.5
[M+Na-2H]-	225.137306	153.8
[M]+	204.16209142	142.4
[M]-	204.16318858	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe