CID 145915578

2-oxabicyclo[3.1.1]heptan-4-one

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C1C2CC1OCC2=O

InChI

InChI=1S/C6H8O2/c7-6-3-8-5-1-4(6)2-5/h4-5H,1-3H2

InChIKey

DFNWNBLESCNKAK-UHFFFAOYSA-N

Compound name

2-oxabicyclo[3.1.1]heptan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 112.05243 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]+	113.05971	112.9
[M+Na]+	135.04165	119.6
[M+NH4]+	130.08625	119.9
[M+K]+	151.01559	116.1
[M-H]-	111.04515	110.3
[M+Na-2H]-	133.02710	110.6
[M]+	112.05188	111.8
[M]-	112.05298	111.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.