CID 102038

Trans-n,n'-bis(1,1,3,3-tetramethylbutyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C24H50N2
SMILES
CC(C)(C)CC(C)(C)NCC1CCC(CC1)CNC(C)(C)CC(C)(C)C
InChI
InChI=1S/C24H50N2/c1-21(2,3)17-23(7,8)25-15-19-11-13-20(14-12-19)16-26-24(9,10)18-22(4,5)6/h19-20,25-26H,11-18H2,1-10H3
InChIKey
USTOIKXCGZHBBI-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-N-[[4-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclohexyl]methyl]pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.3974 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.40468 201.0
[M+Na]+ 389.38662 205.5
[M+NH4]+ 384.43122 206.5
[M+K]+ 405.36056 200.7
[M-H]- 365.39012 201.1
[M+Na-2H]- 387.37207 202.2
[M]+ 366.39685 201.6
[M]- 366.39795 201.6
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.