CID 116179

1,4-cyclohexanebis(methylamine), n,n'-bis(4-methylcyclohexyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C22H42N2
SMILES
CC1CCC(CC1)NCC2CCC(CC2)CNC3CCC(CC3)C
InChI
InChI=1S/C22H42N2/c1-17-3-11-21(12-4-17)23-15-19-7-9-20(10-8-19)16-24-22-13-5-18(2)6-14-22/h17-24H,3-16H2,1-2H3
InChIKey
XVYTUICMONRLND-UHFFFAOYSA-N
Compound name
4-methyl-N-[[4-[[(4-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.3348 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.34208 191.1
[M+Na]+ 357.32402 198.5
[M+NH4]+ 352.36862 200.0
[M+K]+ 373.29796 189.6
[M-H]- 333.32752 198.6
[M+Na-2H]- 355.30947 195.3
[M]+ 334.33425 193.9
[M]- 334.33535 193.9
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