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: 218
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]+	113.059706	105.3
[M+Na]+	135.041648	110.9
[M-H]-	111.045154	111.9
[M+NH4]+	130.086253	115.6
[M+K]+	151.015588	117.3
[M+H-H2O]+	95.049690	93.7
[M+HCOO]-	157.050631	124.7
[M+CH3COO]-	171.066281	180.5
[M+Na-2H]-	133.027096	115.1
[M]+	112.05188142	121.2
[M]-	112.05297858	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe