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: 297
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]+	157.16992	133.1
[M+Na]+	179.15186	134.8
[M-H]-	155.15536	134.7
[M+NH4]+	174.19646	150.5
[M+K]+	195.12580	137.6
[M+H-H2O]+	139.15990	126.1
[M+HCOO]-	201.16084	151.7
[M+CH3COO]-	215.17649	181.2
[M+Na-2H]-	177.13731	137.4
[M]+	156.16209	124.6
[M]-	156.16319	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe