CID 22198

1-aminohomopiperidine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CCCN(CC1)N

InChI

InChI=1S/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2

InChIKey

UGBKOURNNQREPE-UHFFFAOYSA-N

Compound name

azepan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2762
Patents: 114.1157 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]+	115.12298	120.2
[M+Na]+	137.10492	123.0
[M-H]-	113.10842	122.2
[M+NH4]+	132.14952	139.1
[M+K]+	153.07886	126.5
[M+H-H2O]+	97.112960	113.7
[M+HCOO]-	159.11390	139.6
[M+CH3COO]-	173.12955	172.6
[M+Na-2H]-	135.09037	126.0
[M]+	114.11515	110.6
[M]-	114.11625	110.6

Literature stripe

literature stripe

Patent stripe

patents stripe