CID 2764395

3-(azepan-1-yl)propan-1-amine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

C1CCCN(CC1)CCCN

InChI

InChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2

InChIKey

FXTRRLIESPAUHT-UHFFFAOYSA-N

Compound name

3-(azepan-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 305
Patents: 156.16264 Da
Monoisotopic Mass: 0.9
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]+	157.169916	133.1
[M+Na]+	179.151858	134.8
[M-H]-	155.155364	134.7
[M+NH4]+	174.196463	150.5
[M+K]+	195.125798	137.6
[M+H-H2O]+	139.159900	126.1
[M+HCOO]-	201.160841	151.7
[M+CH3COO]-	215.176491	181.2
[M+Na-2H]-	177.137306	137.4
[M]+	156.16209142	124.6
[M]-	156.16318858	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe