CID 126970850

6-oxaspiro[4.5]decan-1-one

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CCOC2(C1)CCCC2=O

InChI

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

InChIKey

ZRWPOLCEDHTCBJ-UHFFFAOYSA-N

Compound name

6-oxaspiro[4.5]decan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 154.09938 Da
Monoisotopic Mass: 1.0
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	132.5
[M+Na]+	177.08860	138.0
[M-H]-	153.09210	138.0
[M+NH4]+	172.13320	155.8
[M+K]+	193.06254	137.8
[M+H-H2O]+	137.09664	127.6
[M+HCOO]-	199.09758	151.7
[M+CH3COO]-	213.11323	171.7
[M+Na-2H]-	175.07405	138.3
[M]+	154.09883	127.1
[M]-	154.09993	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe