CID 7138385

N-(3-aminopropyl)-n-methylcyclohexanamine

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CN(CCCN)C1CCCCC1

InChI

InChI=1S/C10H22N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h10H,2-9,11H2,1H3

InChIKey

GOODZUIQBJNDNO-UHFFFAOYSA-N

Compound name

N'-cyclohexyl-N'-methylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 170.1783 Da
Monoisotopic Mass: 1.5
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]+	171.185576	142.2
[M+Na]+	193.167518	144.4
[M-H]-	169.171024	145.1
[M+NH4]+	188.212123	162.0
[M+K]+	209.141458	143.9
[M+H-H2O]+	153.175560	135.4
[M+HCOO]-	215.176501	163.9
[M+CH3COO]-	229.192151	188.0
[M+Na-2H]-	191.152966	145.5
[M]+	170.17775142	136.8
[M]-	170.17884858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe