CID 16570

1,4-bicyclo(2.2.2)octanebis(methylamine), n,n'-bis(cyclohexylmethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₄H₄₄N₂

SMILES

C1CCC(CC1)CNCC2CC3CCC2CC3CNCC4CCCCC4

InChI

InChI=1S/C24H44N2/c1-3-7-19(8-4-1)15-25-17-23-13-22-12-11-21(23)14-24(22)18-26-16-20-9-5-2-6-10-20/h19-26H,1-18H2

InChIKey

MSAUDFPPHXMAPX-UHFFFAOYSA-N

Compound name

1-cyclohexyl-N-[[5-[(cyclohexylmethylamino)methyl]-2-bicyclo[2.2.2]octanyl]methyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.35046 Da
Monoisotopic Mass: 6.5
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]+	361.357736	181.0
[M+Na]+	383.339678	174.1
[M-H]-	359.343184	179.1
[M+NH4]+	378.384283	195.8
[M+K]+	399.313618	168.7
[M+H-H2O]+	343.347720	171.6
[M+HCOO]-	405.348661	184.0
[M+CH3COO]-	419.364311	184.1
[M+Na-2H]-	381.325126	183.7
[M]+	360.34991142	170.2
[M]-	360.35100858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.