CID 19049

3529-08-6

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

C1CCN(CC1)CCCN

InChI

InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2

InChIKey

JMUCXULQKPWSTJ-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3403
Patents: 142.147 Da
Monoisotopic Mass: 0.5
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	133.8
[M+Na]+	165.136218	137.6
[M-H]-	141.139724	134.3
[M+NH4]+	160.180823	153.2
[M+K]+	181.110158	136.3
[M+H-H2O]+	125.144260	127.0
[M+HCOO]-	187.145201	153.4
[M+CH3COO]-	201.160851	176.2
[M+Na-2H]-	163.121666	138.8
[M]+	142.14645142	127.8
[M]-	142.14754858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe