CID 3157473

Methyl[2-(piperidin-1-yl)ethyl]amine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CNCCN1CCCCC1

InChI

InChI=1S/C8H18N2/c1-9-5-8-10-6-3-2-4-7-10/h9H,2-8H2,1H3

InChIKey

KCAUHAHOMIRXAN-UHFFFAOYSA-N

Compound name

N-methyl-2-piperidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1311
Patents: 142.147 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]+	143.154276	133.4
[M+Na]+	165.136218	137.2
[M-H]-	141.139724	134.4
[M+NH4]+	160.180823	153.0
[M+K]+	181.110158	136.2
[M+H-H2O]+	125.144260	126.6
[M+HCOO]-	187.145201	153.6
[M+CH3COO]-	201.160851	176.9
[M+Na-2H]-	163.121666	139.4
[M]+	142.14645142	128.4
[M]-	142.14754858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe