CID 44810

N,n'-bis(2,5-dimethylheptyl)-1,6-dimethyl-1,6-hexanediamine dihydrochloride

Structural Information

Molecular Formula
C26H56N2
SMILES
CCC(C)CCC(C)CNC(C)CCCCC(C)NCC(C)CCC(C)CC
InChI
InChI=1S/C26H56N2/c1-9-21(3)15-17-23(5)19-27-25(7)13-11-12-14-26(8)28-20-24(6)18-16-22(4)10-2/h21-28H,9-20H2,1-8H3
InChIKey
KLUIPOQHIMNXAR-UHFFFAOYSA-N
Compound name
2-N,7-N-bis(2,5-dimethylheptyl)octane-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.44434 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.45162 221.0
[M+Na]+ 419.43356 217.0
[M-H]- 395.43706 217.8
[M+NH4]+ 414.47816 234.6
[M+K]+ 435.40750 214.6
[M+H-H2O]+ 379.44160 212.7
[M+HCOO]- 441.44254 225.9
[M+CH3COO]- 455.45819 241.6
[M+Na-2H]- 417.41901 210.2
[M]+ 396.44379 224.2
[M]- 396.44489 224.2
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.