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 198.1
[M+Na]+ 389.38662 197.2
[M-H]- 365.39012 199.1
[M+NH4]+ 384.43122 210.6
[M+K]+ 405.36056 194.7
[M+H-H2O]+ 349.39466 192.2
[M+HCOO]- 411.39560 209.1
[M+CH3COO]- 425.41125 229.3
[M+Na-2H]- 387.37207 199.7
[M]+ 366.39685 196.0
[M]- 366.39795 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.