CID 93665

57413-95-3

Structural Information

Molecular Formula
C20H45N3
SMILES
CCCCCCCCNCCNCCNCCCCCCCC
InChI
InChI=1S/C20H45N3/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3
InChIKey
OXWFFWJKUNMMSO-UHFFFAOYSA-N
Compound name
N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1009
Patents

327.36136 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.36864 190.2
[M+Na]+ 350.35058 188.9
[M-H]- 326.35408 187.5
[M+NH4]+ 345.39518 203.4
[M+K]+ 366.32452 185.0
[M+H-H2O]+ 310.35862 181.6
[M+HCOO]- 372.35956 212.3
[M+CH3COO]- 386.37521 224.2
[M+Na-2H]- 348.33603 190.8
[M]+ 327.36081 194.3
[M]- 327.36191 194.3
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.