CID 165677755

2-(bromomethyl)-1-oxaspiro[4.5]decan-8-one

Structural Information

Molecular Formula

C₁₀H₁₅BrO₂

SMILES

C1CC2(CCC(=O)CC2)OC1CBr

InChI

InChI=1S/C10H15BrO2/c11-7-9-3-6-10(13-9)4-1-8(12)2-5-10/h9H,1-7H2

InChIKey

UKJRKFOHFFUFLQ-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1-oxaspiro[4.5]decan-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.02554 Da
Monoisotopic Mass: 1.4
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]+	247.032816	151.2
[M+Na]+	269.014758	160.5
[M-H]-	245.018264	159.3
[M+NH4]+	264.059363	174.6
[M+K]+	284.988698	151.4
[M+H-H2O]+	229.022800	152.5
[M+HCOO]-	291.023741	167.9
[M+CH3COO]-	305.039391	186.2
[M+Na-2H]-	267.000206	156.5
[M]+	246.02499142	165.7
[M]-	246.02608858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.