CID 12783

1-oxaspiro[4.5]decan-2-one

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CCC2(CC1)CCC(=O)O2

InChI

InChI=1S/C9H14O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-7H2

InChIKey

QYNYVJFXPJUEMW-UHFFFAOYSA-N

Compound name

1-oxaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 188
Patents: 154.09938 Da
Monoisotopic Mass: 1.8
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]+	155.10666	134.3
[M+Na]+	177.08860	144.3
[M+NH4]+	172.13320	145.2
[M+K]+	193.06254	138.4
[M-H]-	153.09210	138.2
[M+Na-2H]-	175.07405	140.1
[M]+	154.09883	136.8
[M]-	154.09993	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe