CID 3016161

2-bromo-n,n-dibutylacetamide

Structural Information

Molecular Formula

C₁₀H₂₀BrNO

SMILES

CCCCN(CCCC)C(=O)CBr

InChI

InChI=1S/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3

InChIKey

UQISDSAIAARTPX-UHFFFAOYSA-N

Compound name

2-bromo-N,N-dibutylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 86
Patents: 249.07283 Da
Monoisotopic Mass: 3.0
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]+	250.080106	154.1
[M+Na]+	272.062048	162.6
[M-H]-	248.065554	157.7
[M+NH4]+	267.106653	175.4
[M+K]+	288.035988	152.7
[M+H-H2O]+	232.070090	153.1
[M+HCOO]-	294.071031	174.9
[M+CH3COO]-	308.086681	198.3
[M+Na-2H]-	270.047496	158.2
[M]+	249.07228142	175.4
[M]-	249.07337858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe