CID 68176732

2-oxaspiro[3.4]octan-6-one

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1CC2(CC1=O)COC2

InChI

InChI=1S/C7H10O2/c8-6-1-2-7(3-6)4-9-5-7/h1-5H2

InChIKey

CFNMFALMXPKZCQ-UHFFFAOYSA-N

Compound name

2-oxaspiro[3.4]octan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 126.06808 Da
Monoisotopic Mass: -0.2
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]+	127.07536	122.9
[M+Na]+	149.05730	128.7
[M+NH4]+	144.10190	129.6
[M+K]+	165.03124	125.6
[M-H]-	125.06080	123.3
[M+Na-2H]-	147.04275	126.5
[M]+	126.06753	122.7
[M]-	126.06863	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe