CID 112756135

N-[2-(2-bromoethoxy)ethyl]acetamide

Structural Information

Molecular Formula

C₆H₁₂BrNO₂

SMILES

CC(=O)NCCOCCBr

InChI

InChI=1S/C6H12BrNO2/c1-6(9)8-3-5-10-4-2-7/h2-5H2,1H3,(H,8,9)

InChIKey

SNZFTGWTTWWKHN-UHFFFAOYSA-N

Compound name

N-[2-(2-bromoethoxy)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.00514 Da
Monoisotopic Mass: 0.2
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]+	210.01242	139.4
[M+Na]+	231.99436	139.5
[M+NH4]+	227.03896	143.0
[M+K]+	247.96830	140.4
[M-H]-	207.99786	137.5
[M+Na-2H]-	229.97981	139.8
[M]+	209.00459	137.3
[M]-	209.00569	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe