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

1
Annotation Hits: 0
References: 69
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]+	250.08011	151.9
[M+Na]+	272.06205	151.9
[M+NH4]+	267.10665	155.7
[M+K]+	288.03599	152.0
[M-H]-	248.06555	150.7
[M+Na-2H]-	270.04750	152.0
[M]+	249.07228	150.1
[M]-	249.07338	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe