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

1
Patents

332.31915 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 175.3
[M+Na]+ 355.30837 170.2
[M-H]- 331.31187 173.8
[M+NH4]+ 350.35297 194.7
[M+K]+ 371.28231 165.0
[M+H-H2O]+ 315.31641 164.9
[M+HCOO]- 377.31735 179.0
[M+CH3COO]- 391.33300 179.4
[M+Na-2H]- 353.29382 181.5
[M]+ 332.31860 163.8
[M]- 332.31970 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