CID 95283

6334-25-4

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₆

SMILES

C(CCC(=O)N(CCO)CCO)CC(=O)N(CCO)CCO

InChI

InChI=1S/C14H28N2O6/c17-9-5-15(6-10-18)13(21)3-1-2-4-14(22)16(7-11-19)8-12-20/h17-20H,1-12H2

InChIKey

OKRNLSUTBJUVKA-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetrakis(2-hydroxyethyl)hexanediamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2871
Patents: 320.19473 Da
Monoisotopic Mass: -2.9
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]+	321.20201	177.5
[M+Na]+	343.18395	179.5
[M+NH4]+	338.22855	179.1
[M+K]+	359.15789	178.5
[M-H]-	319.18745	172.5
[M+Na-2H]-	341.16940	174.2
[M]+	320.19418	175.3
[M]-	320.19528	175.3

Literature stripe

literature stripe

Patent stripe

patents stripe