CID 3022546

Einecs 298-815-1

Structural Information

Molecular Formula
C36H77N3
SMILES
CCCCCCCCN(CCCCCCCC)CCNCCN(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C36H77N3/c1-5-9-13-17-21-25-31-38(32-26-22-18-14-10-6-2)35-29-37-30-36-39(33-27-23-19-15-11-7-3)34-28-24-20-16-12-8-4/h37H,5-36H2,1-4H3
InChIKey
QUXHOWGAZCYEGZ-UHFFFAOYSA-N
Compound name
N-[2-(dioctylamino)ethyl]-N',N'-dioctylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

551.61176 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.619036 284.6
[M+Na]+ 574.600978 295.6
[M-H]- 550.604484 271.7
[M+NH4]+ 569.645583 284.3
[M+K]+ 590.574918 294.7
[M+H-H2O]+ 534.609020 283.0
[M+HCOO]- 596.609961 285.1
[M+CH3COO]- 610.625611 276.9
[M+Na-2H]- 572.586426 267.4
[M]+ 551.61121142 280.4
[M]- 551.61230858 280.4
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