CID 110255

N,n-bis(2-hydroxyethyl)hexanamide

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CCCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C10H21NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h12-13H,2-9H2,1H3

InChIKey

JTLQQZSDVWPHLD-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 203.15215 Da
Monoisotopic Mass: 0.3
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]+	204.15943	149.2
[M+Na]+	226.14137	156.0
[M+NH4]+	221.18597	154.7
[M+K]+	242.11531	151.9
[M-H]-	202.14487	147.0
[M+Na-2H]-	224.12682	150.0
[M]+	203.15160	149.0
[M]-	203.15270	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe