CID 3022540

N'-(2-aminoethyl)-n,n-dioctylethylenediamine

Structural Information

Molecular Formula
C20H45N3
SMILES
CCCCCCCCN(CCCCCCCC)CCNCCN
InChI
InChI=1S/C20H45N3/c1-3-5-7-9-11-13-18-23(20-17-22-16-15-21)19-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKey
ZTVRNIVECNHKTG-UHFFFAOYSA-N
Compound name
N'-[2-(dioctylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

327.36136 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.368636 192.7
[M+Na]+ 350.350578 191.6
[M-H]- 326.354084 191.0
[M+NH4]+ 345.395183 206.3
[M+K]+ 366.324518 188.7
[M+H-H2O]+ 310.358620 183.9
[M+HCOO]- 372.359561 214.7
[M+CH3COO]- 386.375211 226.9
[M+Na-2H]- 348.336026 191.2
[M]+ 327.36081142 197.0
[M]- 327.36190858 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe