CID 102587

1,4-cyclohexanebis(methylamine), n,n'-bis(3-methylcyclohexyl)-, diacetate, (e)-

Structural Information

Molecular Formula
C22H42N2
SMILES
CC1CCCC(C1)NCC2CCC(CC2)CNC3CCCC(C3)C
InChI
InChI=1S/C22H42N2/c1-17-5-3-7-21(13-17)23-15-19-9-11-20(12-10-19)16-24-22-8-4-6-18(2)14-22/h17-24H,3-16H2,1-2H3
InChIKey
OIWIYWQUZDVJHA-UHFFFAOYSA-N
Compound name
3-methyl-N-[[4-[[(3-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

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.34208 187.7
[M+Na]+ 357.32402 183.9
[M-H]- 333.32752 193.3
[M+NH4]+ 352.36862 199.8
[M+K]+ 373.29796 179.3
[M+H-H2O]+ 317.33206 178.0
[M+HCOO]- 379.33300 199.5
[M+CH3COO]- 393.34865 218.5
[M+Na-2H]- 355.30947 183.5
[M]+ 334.33425 173.7
[M]- 334.33535 173.7
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