CID 137935395

2,6-dioxaspiro[4.5]decan-10-one

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C1CC(=O)C2(CCOC2)OC1

InChI

InChI=1S/C8H12O3/c9-7-2-1-4-11-8(7)3-5-10-6-8/h1-6H2

InChIKey

BUNNLXPFBBEQTF-UHFFFAOYSA-N

Compound name

2,6-dioxaspiro[4.5]decan-10-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.07864 Da
Monoisotopic Mass: -0.2
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]+	157.08592	132.2
[M+Na]+	179.06786	142.3
[M+NH4]+	174.11246	142.6
[M+K]+	195.04180	137.5
[M-H]-	155.07136	136.9
[M+Na-2H]-	177.05331	137.4
[M]+	156.07809	135.0
[M]-	156.07919	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.