CID 3023073

Einecs 300-733-9

Structural Information

Molecular Formula

C₁₂H₂₉N₃

SMILES

CCCCC(CC)CNCCNCCN

InChI

InChI=1S/C12H29N3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12,14-15H,3-11,13H2,1-2H3

InChIKey

CEZLLTCGOGRYHF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 215.23615 Da
Monoisotopic Mass: 1.6
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]+	216.243426	157.8
[M+Na]+	238.225368	159.6
[M-H]-	214.228874	156.2
[M+NH4]+	233.269973	175.2
[M+K]+	254.199308	157.9
[M+H-H2O]+	198.233410	150.7
[M+HCOO]-	260.234351	180.9
[M+CH3COO]-	274.250001	200.3
[M+Na-2H]-	236.210816	159.9
[M]+	215.23560142	157.1
[M]-	215.23669858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe