CID 17196

N,n'-(bicyclo(2.2.2)octylenedimethylene)dicyclohexaneamine dihydrochloride

Structural Information

Molecular Formula
C22H40N2
SMILES
C1CCC(CC1)NCC23CCC(CC2)(CC3)CNC4CCCCC4
InChI
InChI=1S/C22H40N2/c1-3-7-19(8-4-1)23-17-21-11-14-22(15-12-21,16-13-21)18-24-20-9-5-2-6-10-20/h19-20,23-24H,1-18H2
InChIKey
LINDIJLPLPUMKW-UHFFFAOYSA-N
Compound name
N-[[4-[(cyclohexylamino)methyl]-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.31915 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.326426 175.3
[M+Na]+ 355.308368 170.2
[M-H]- 331.311874 173.8
[M+NH4]+ 350.352973 194.7
[M+K]+ 371.282308 165.0
[M+H-H2O]+ 315.316410 164.9
[M+HCOO]- 377.317351 179.0
[M+CH3COO]- 391.333001 179.4
[M+Na-2H]- 353.293816 181.5
[M]+ 332.31860142 163.8
[M]- 332.31969858 163.8
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

patents stripe