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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.35774 181.0
[M+Na]+ 383.33968 174.1
[M-H]- 359.34318 179.1
[M+NH4]+ 378.38428 195.8
[M+K]+ 399.31362 168.7
[M+H-H2O]+ 343.34772 171.6
[M+HCOO]- 405.34866 184.0
[M+CH3COO]- 419.36431 184.1
[M+Na-2H]- 381.32513 183.7
[M]+ 360.34991 170.2
[M]- 360.35101 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.