CID 53828525

8-(2-bromoethyl)-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula

C₁₀H₁₇BrO₂

SMILES

C1CC2(CCC1CCBr)OCCO2

InChI

InChI=1S/C10H17BrO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8H2

InChIKey

GAVAWVLUBOFGGV-UHFFFAOYSA-N

Compound name

8-(2-bromoethyl)-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 248.04118 Da
Monoisotopic Mass: 2.3
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]+	249.04846	153.5
[M+Na]+	271.03040	161.6
[M-H]-	247.03390	161.7
[M+NH4]+	266.07500	175.4
[M+K]+	287.00434	154.1
[M+H-H2O]+	231.03844	154.7
[M+HCOO]-	293.03938	169.1
[M+CH3COO]-	307.05503	186.1
[M+Na-2H]-	269.01585	160.0
[M]+	248.04063	168.8
[M]-	248.04173	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe