CID 243972

N,n-dihexylacetamide

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

CCCCCCN(CCCCCC)C(=O)C

InChI

InChI=1S/C14H29NO/c1-4-6-8-10-12-15(14(3)16)13-11-9-7-5-2/h4-13H2,1-3H3

InChIKey

JFUCOPIALLYRGN-UHFFFAOYSA-N

Compound name

N,N-dihexylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 378
Patents: 227.22491 Da
Monoisotopic Mass: 4.4
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]+	228.232186	162.3
[M+Na]+	250.214128	165.7
[M-H]-	226.217634	162.7
[M+NH4]+	245.258733	181.0
[M+K]+	266.188068	165.0
[M+H-H2O]+	210.222170	155.8
[M+HCOO]-	272.223111	184.4
[M+CH3COO]-	286.238761	201.0
[M+Na-2H]-	248.199576	163.2
[M]+	227.22436142	167.1
[M]-	227.22545858	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe