CID 7138281

N-(2-aminoethyl)-n-methylcyclohexanamine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CN(CCN)C1CCCCC1

InChI

InChI=1S/C9H20N2/c1-11(8-7-10)9-5-3-2-4-6-9/h9H,2-8,10H2,1H3

InChIKey

FNZNHTIBNDAHFH-UHFFFAOYSA-N

Compound name

N'-cyclohexyl-N'-methylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 156.16264 Da
Monoisotopic Mass: 1.1
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]+	157.16992	137.6
[M+Na]+	179.15186	140.3
[M-H]-	155.15536	140.8
[M+NH4]+	174.19646	158.0
[M+K]+	195.12580	140.1
[M+H-H2O]+	139.15990	131.0
[M+HCOO]-	201.16084	159.7
[M+CH3COO]-	215.17649	185.0
[M+Na-2H]-	177.13731	141.5
[M]+	156.16209	131.9
[M]-	156.16319	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe