CID 165998733

9-bromo-3-oxaspiro[5.5]undecane

Structural Information

Molecular Formula

C₁₀H₁₇BrO

SMILES

C1CC2(CCC1Br)CCOCC2

InChI

InChI=1S/C10H17BrO/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9H,1-8H2

InChIKey

RVQUGEMVZLYVQU-UHFFFAOYSA-N

Compound name

9-bromo-3-oxaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.04628 Da
Monoisotopic Mass: 2.7
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]+	233.05356	148.2
[M+Na]+	255.03550	155.2
[M-H]-	231.03900	155.6
[M+NH4]+	250.08010	170.1
[M+K]+	271.00944	146.6
[M+H-H2O]+	215.04354	148.9
[M+HCOO]-	277.04448	162.4
[M+CH3COO]-	291.06013	184.5
[M+Na-2H]-	253.02095	155.4
[M]+	232.04573	159.6
[M]-	232.04683	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.