CID 33944

27578-60-5

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C1CCN(CC1)CCN

InChI

InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2

InChIKey

CJNRGSHEMCMUOE-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 12770
Patents: 128.13135 Da
Monoisotopic Mass: 0.4
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]+	129.138626	129.4
[M+Na]+	151.120568	133.6
[M-H]-	127.124074	130.0
[M+NH4]+	146.165173	149.3
[M+K]+	167.094508	132.5
[M+H-H2O]+	111.128610	122.7
[M+HCOO]-	173.129551	149.3
[M+CH3COO]-	187.145201	173.1
[M+Na-2H]-	149.106016	134.9
[M]+	128.13080142	122.9
[M]-	128.13189858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe