CID 98094

6789-94-2

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CCN1CCCC(C1)N

InChI

InChI=1S/C7H16N2/c1-2-9-5-3-4-7(8)6-9/h7H,2-6,8H2,1H3

InChIKey

WAKUKXKZEXFXJP-UHFFFAOYSA-N

Compound name

1-ethylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 869
Patents: 128.13135 Da
Monoisotopic Mass: 0.2
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]+	129.138626	129.4
[M+Na]+	151.120568	134.6
[M-H]-	127.124074	130.4
[M+NH4]+	146.165173	149.7
[M+K]+	167.094508	133.5
[M+H-H2O]+	111.128610	123.1
[M+HCOO]-	173.129551	149.3
[M+CH3COO]-	187.145201	174.2
[M+Na-2H]-	149.106016	134.2
[M]+	128.13080142	123.3
[M]-	128.13189858	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe