CID 14979289

[2-(azepan-1-yl)ethyl](methyl)amine dihydrochloride

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CNCCN1CCCCCC1

InChI

InChI=1S/C9H20N2/c1-10-6-9-11-7-4-2-3-5-8-11/h10H,2-9H2,1H3

InChIKey

PCSDSPLJOYHMEW-UHFFFAOYSA-N

Compound name

2-(azepan-1-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.16264 Da
Monoisotopic Mass: 1.6
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	134.7
[M-H]-	155.15536	135.1
[M+NH4]+	174.19646	150.7
[M+K]+	195.12580	137.8
[M+H-H2O]+	139.15990	126.1
[M+HCOO]-	201.16084	152.2
[M+CH3COO]-	215.17649	181.9
[M+Na-2H]-	177.13731	138.3
[M]+	156.16209	125.5
[M]-	156.16319	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe