CID 82413223

2-oxaspiro[5.5]undecan-5-one

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC2(CC1)COCCC2=O

InChI

InChI=1S/C10H16O2/c11-9-4-7-12-8-10(9)5-2-1-3-6-10/h1-8H2

InChIKey

QSERSPURUBLYJP-UHFFFAOYSA-N

Compound name

2-oxaspiro[5.5]undecan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 1.5
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]+	169.12232	136.5
[M+Na]+	191.10426	140.5
[M-H]-	167.10776	141.6
[M+NH4]+	186.14886	157.3
[M+K]+	207.07820	140.4
[M+H-H2O]+	151.11230	130.6
[M+HCOO]-	213.11324	153.2
[M+CH3COO]-	227.12889	175.2
[M+Na-2H]-	189.08971	143.2
[M]+	168.11449	129.3
[M]-	168.11559	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.