CID 3022385

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

Structural Information

Molecular Formula

C₂₈H₆₁N₃

SMILES

CCCCCCCCCCCCNCCN(CCCCCCCCCCCC)CCN

InChI

InChI=1S/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-24-30-25-28-31(27-23-29)26-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3

InChIKey

USEFLVZSSJSALE-UHFFFAOYSA-N

Compound name

N'-dodecyl-N'-[2-(dodecylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 439.48654 Da
Monoisotopic Mass: 10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	440.493816	226.2
[M+Na]+	462.475758	221.7
[M-H]-	438.479264	222.9
[M+NH4]+	457.520363	248.6
[M+K]+	478.449698	217.0
[M+H-H2O]+	422.483800	216.0
[M+HCOO]-	484.484741	257.0
[M+CH3COO]-	498.500391	250.3
[M+Na-2H]-	460.461206	220.8
[M]+	439.48599142	233.6
[M]-	439.48708858	233.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe