CID 20693260

Azocan-3-amine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C1CCC(CNCC1)N

InChI

InChI=1S/C7H16N2/c8-7-4-2-1-3-5-9-6-7/h7,9H,1-6,8H2

InChIKey

ZRHHDWFTDGGETF-UHFFFAOYSA-N

Compound name

azocan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 128.13135 Da
Monoisotopic Mass: 0.1
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	138.0
[M+Na]+	151.120568	141.7
[M-H]-	127.124074	138.2
[M+NH4]+	146.165173	146.8
[M+K]+	167.094508	142.1
[M+H-H2O]+	111.128610	134.5
[M+HCOO]-	173.129551	146.4
[M+CH3COO]-	187.145201	216.6
[M+Na-2H]-	149.106016	139.0
[M]+	128.13080142	134.1
[M]-	128.13189858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe