CID 106477

6-hydroxy-n,n-bis(2-hydroxyethyl)hexanamide

Structural Information

Molecular Formula

C₁₀H₂₁NO₄

SMILES

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

InChI

InChI=1S/C10H21NO4/c12-7-3-1-2-4-10(15)11(5-8-13)6-9-14/h12-14H,1-9H2

InChIKey

ISYSXHXTFFZRKN-UHFFFAOYSA-N

Compound name

6-hydroxy-N,N-bis(2-hydroxyethyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 219.14706 Da
Monoisotopic Mass: -1.3
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]+	220.154336	153.3
[M+Na]+	242.136278	156.8
[M-H]-	218.139784	149.9
[M+NH4]+	237.180883	169.9
[M+K]+	258.110218	156.0
[M+H-H2O]+	202.144320	147.4
[M+HCOO]-	264.145261	172.9
[M+CH3COO]-	278.160911	187.1
[M+Na-2H]-	240.121726	154.8
[M]+	219.14651142	155.1
[M]-	219.14760858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe