CID 53139

74886-57-0

Structural Information

Molecular Formula

C₇H₁₇BrNO

SMILES

C[N+](C)(C)CCOCCBr

InChI

InChI=1S/C7H17BrNO/c1-9(2,3)5-7-10-6-4-8/h4-7H2,1-3H3/q+1

InChIKey

OFPOVMSUOQOURT-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxy)ethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 210.04935 Da
Monoisotopic Mass: 0.9
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]+	211.05663	140.3
[M+Na]+	233.03857	150.7
[M-H]-	209.04207	144.9
[M+NH4]+	228.08317	163.3
[M+K]+	249.01251	136.5
[M+H-H2O]+	193.04661	143.3
[M+HCOO]-	255.04755	161.9
[M+CH3COO]-	269.06320	184.1
[M+Na-2H]-	231.02402	151.1
[M]+	210.04880	160.8
[M]-	210.04990	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe