CID 4205687

(1,3-dioxan-2-ylethyl)magnesium bromide

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCC1OCCCO1

InChI

InChI=1S/C6H12O2/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3

InChIKey

YYSCEOFBYTXZLD-UHFFFAOYSA-N

Compound name

2-ethyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 656
Patents: 116.08373 Da
Monoisotopic Mass: 1.1
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]+	117.09101	122.2
[M+Na]+	139.07295	133.9
[M+NH4]+	134.11755	131.5
[M+K]+	155.04689	128.7
[M-H]-	115.07645	126.9
[M+Na-2H]-	137.05840	127.3
[M]+	116.08318	125.2
[M]-	116.08428	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe