CID 559170

N-(hexanoyl)ethanolamine

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCCCCC(=O)NCCO

InChI

InChI=1S/C8H17NO2/c1-2-3-4-5-8(11)9-6-7-10/h10H,2-7H2,1H3,(H,9,11)

InChIKey

HVVJCLNYMSTOMR-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 94
Patents: 159.12593 Da
Monoisotopic Mass: 0.8
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]+	160.133206	138.1
[M+Na]+	182.115148	143.3
[M-H]-	158.118654	136.6
[M+NH4]+	177.159753	158.0
[M+K]+	198.089088	142.3
[M+H-H2O]+	142.123190	132.9
[M+HCOO]-	204.124131	160.4
[M+CH3COO]-	218.139781	178.6
[M+Na-2H]-	180.100596	142.4
[M]+	159.12538142	138.8
[M]-	159.12647858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe