CID 115674

N,n'-bis(3,7-dimethyloctyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C28H58N2
SMILES
CC(C)CCCC(C)CCNCC1CCC(CC1)CNCCC(C)CCCC(C)C
InChI
InChI=1S/C28H58N2/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4/h23-30H,7-22H2,1-6H3
InChIKey
VVGJIEKMESZNLN-UHFFFAOYSA-N
Compound name
N-[[4-[(3,7-dimethyloctylamino)methyl]cyclohexyl]methyl]-3,7-dimethyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.46 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.46728 223.4
[M+Na]+ 445.44922 217.8
[M-H]- 421.45272 222.4
[M+NH4]+ 440.49382 232.5
[M+K]+ 461.42316 213.9
[M+H-H2O]+ 405.45726 214.2
[M+HCOO]- 467.45820 235.0
[M+CH3COO]- 481.47385 243.6
[M+Na-2H]- 443.43467 213.3
[M]+ 422.45945 222.1
[M]- 422.46055 222.1
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.