CID 103923

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe