CID 76499

N,n-bis(2-hydroxyethyl)octanamide

Structural Information

Molecular Formula

C₁₂H₂₅NO₃

SMILES

CCCCCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3

InChIKey

FZQAYFWUOCXLKJ-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)octanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 173
Patents: 231.18344 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]+	232.19072	157.9
[M+Na]+	254.17266	164.3
[M+NH4]+	249.21726	163.1
[M+K]+	270.14660	159.8
[M-H]-	230.17616	155.7
[M+Na-2H]-	252.15811	158.2
[M]+	231.18289	157.6
[M]-	231.18399	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe