CID 67452149

2-oxaspiro[3.3]heptan-6-one

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C1C(=O)CC12COC2

InChI

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

InChIKey

JWNCVDJOXJTJPB-UHFFFAOYSA-N

Compound name

2-oxaspiro[3.3]heptan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 265
Patents: 112.05243 Da
Monoisotopic Mass: -0.6
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	105.3
[M+Na]+	135.04165	110.9
[M-H]-	111.04515	111.9
[M+NH4]+	130.08625	115.6
[M+K]+	151.01559	117.3
[M+H-H2O]+	95.049690	93.7
[M+HCOO]-	157.05063	124.7
[M+CH3COO]-	171.06628	180.5
[M+Na-2H]-	133.02710	115.1
[M]+	112.05188	121.2
[M]-	112.05298	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe