CID 85313

Einecs 240-312-6

Structural Information

Molecular Formula
C28H61N3
SMILES
CCCCCCCCNCCN(CCCCCCCC)CCNCCCCCCCC
InChI
InChI=1S/C28H61N3/c1-4-7-10-13-16-19-22-29-24-27-31(26-21-18-15-12-9-6-3)28-25-30-23-20-17-14-11-8-5-2/h29-30H,4-28H2,1-3H3
InChIKey
RFINSRZFFYSEDU-UHFFFAOYSA-N
Compound name
N,N'-dioctyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

439.48654 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.49382 226.4
[M+Na]+ 462.47576 221.9
[M-H]- 438.47926 223.6
[M+NH4]+ 457.52036 254.1
[M+K]+ 478.44970 217.5
[M+H-H2O]+ 422.48380 216.1
[M+HCOO]- 484.48474 262.2
[M+CH3COO]- 498.50039 251.0
[M+Na-2H]- 460.46121 222.0
[M]+ 439.48599 234.8
[M]- 439.48709 234.8
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

patents stripe