CID 113225

Octanamide, n-[2-[(2-hydroxyethyl)amino]ethyl]-

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₂

SMILES

CCCCCCCC(=O)NCCNCCO

InChI

InChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-12(16)14-9-8-13-10-11-15/h13,15H,2-11H2,1H3,(H,14,16)

InChIKey

SSZNVFVZGVRQFX-UHFFFAOYSA-N

Compound name

N-[2-(2-hydroxyethylamino)ethyl]octanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 230.19943 Da
Monoisotopic Mass: 1.4
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]+	231.206706	159.2
[M+Na]+	253.188648	161.8
[M-H]-	229.192154	156.8
[M+NH4]+	248.233253	175.9
[M+K]+	269.162588	159.8
[M+H-H2O]+	213.196690	152.6
[M+HCOO]-	275.197631	181.2
[M+CH3COO]-	289.213281	195.8
[M+Na-2H]-	251.174096	161.7
[M]+	230.19888142	160.6
[M]-	230.19997858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe