CID 469906

N,n'-bis(2-hexyl)-ethylenediamine

Structural Information

Molecular Formula

C₁₄H₃₂N₂

SMILES

CCCCC(C)NCCNC(C)CCCC

InChI

InChI=1S/C14H32N2/c1-5-7-9-13(3)15-11-12-16-14(4)10-8-6-2/h13-16H,5-12H2,1-4H3

InChIKey

AYTDFDBZORIXSG-UHFFFAOYSA-N

Compound name

N,N'-di(hexan-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 228.25655 Da
Monoisotopic Mass: 3.8
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]+	229.26383	165.0
[M+Na]+	251.24577	166.7
[M-H]-	227.24927	163.8
[M+NH4]+	246.29037	182.6
[M+K]+	267.21971	165.2
[M+H-H2O]+	211.25381	158.3
[M+HCOO]-	273.25475	186.1
[M+CH3COO]-	287.27040	202.8
[M+Na-2H]-	249.23122	165.5
[M]+	228.25600	166.3
[M]-	228.25710	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe