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]+ 367.404676 198.1
[M+Na]+ 389.386618 197.2
[M-H]- 365.390124 199.1
[M+NH4]+ 384.431223 210.6
[M+K]+ 405.360558 194.7
[M+H-H2O]+ 349.394660 192.2
[M+HCOO]- 411.395601 209.1
[M+CH3COO]- 425.411251 229.3
[M+Na-2H]- 387.372066 199.7
[M]+ 366.39685142 196.0
[M]- 366.39794858 196.0
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.