CID 112337

Einecs 274-175-9

Structural Information

Molecular Formula
C36H77N3
SMILES
CCCCCCCCNCCN(CCCCCCCC)CCN(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C36H77N3/c1-5-9-13-17-21-25-29-37-30-34-39(33-28-24-20-16-12-8-4)36-35-38(31-26-22-18-14-10-6-2)32-27-23-19-15-11-7-3/h37H,5-36H2,1-4H3
InChIKey
YXOUIZKURYAMLM-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

0
Patents

551.61176 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.61904 284.6
[M+Na]+ 574.60098 295.6
[M-H]- 550.60448 271.7
[M+NH4]+ 569.64558 284.3
[M+K]+ 590.57492 294.7
[M+H-H2O]+ 534.60902 283.0
[M+HCOO]- 596.60996 285.1
[M+CH3COO]- 610.62561 276.9
[M+Na-2H]- 572.58643 267.4
[M]+ 551.61121 280.4
[M]- 551.61231 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

No patent data available for this compound.