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: 2950
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	178.1
[M+Na]+	343.18395	178.6
[M-H]-	319.18745	174.1
[M+NH4]+	338.22855	189.8
[M+K]+	359.15789	178.8
[M+H-H2O]+	303.19199	170.7
[M+HCOO]-	365.19293	196.1
[M+CH3COO]-	379.20858	209.0
[M+Na-2H]-	341.16940	175.7
[M]+	320.19418	181.3
[M]-	320.19528	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe