CID 149164152

4-oxaspiro[2.4]heptan-6-one

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C1CC12CC(=O)CO2

InChI

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

InChIKey

WXTZIBURJSWLGE-UHFFFAOYSA-N

Compound name

4-oxaspiro[2.4]heptan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 112.05243 Da
Monoisotopic Mass: 0.0
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]+	113.059706	120.6
[M+Na]+	135.041648	130.9
[M-H]-	111.045154	128.2
[M+NH4]+	130.086253	141.0
[M+K]+	151.015588	131.2
[M+H-H2O]+	95.049690	116.4
[M+HCOO]-	157.050631	143.1
[M+CH3COO]-	171.066281	168.7
[M+Na-2H]-	133.027096	129.1
[M]+	112.05188142	122.4
[M]-	112.05297858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe