CID 71743843

2-oxaspiro[3.3]heptan-5-one

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C1CC2(C1=O)COC2

InChI

InChI=1S/C6H8O2/c7-5-1-2-6(5)3-8-4-6/h1-4H2

InChIKey

PGASCTHRZLZYTE-UHFFFAOYSA-N

Compound name

2-oxaspiro[3.3]heptan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 112.05243 Da
Monoisotopic Mass: -0.5
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]+	113.05971	122.5
[M+Na]+	135.04165	124.6
[M+NH4]+	130.08625	124.8
[M+K]+	151.01559	122.4
[M-H]-	111.04515	120.4
[M+Na-2H]-	133.02710	124.2
[M]+	112.05188	120.1
[M]-	112.05298	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe