CID 57483082

Azelamide monoethanolamine

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

C(CCCC(=O)NCCO)CCCC(=O)O

InChI

InChI=1S/C11H21NO4/c13-9-8-12-10(14)6-4-2-1-3-5-7-11(15)16/h13H,1-9H2,(H,12,14)(H,15,16)

InChIKey

VEDNSEZGQMNNER-UHFFFAOYSA-N

Compound name

9-(2-hydroxyethylamino)-9-oxononanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 101
Patents: 231.14706 Da
Monoisotopic Mass: 0.6
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]+	232.15434	156.3
[M+Na]+	254.13628	159.7
[M-H]-	230.13978	152.8
[M+NH4]+	249.18088	172.3
[M+K]+	270.11022	158.0
[M+H-H2O]+	214.14432	150.3
[M+HCOO]-	276.14526	175.8
[M+CH3COO]-	290.16091	189.3
[M+Na-2H]-	252.12173	157.4
[M]+	231.14651	157.8
[M]-	231.14761	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe