CID 130971245

Rac-(1r,5s)-3-oxabicyclo[3.2.0]heptan-6-one

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C1[C@H]2COC[C@H]2C1=O

InChI

InChI=1S/C6H8O2/c7-6-1-4-2-8-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1

InChIKey

XCKRIFCQPBHQPB-CRCLSJGQSA-N

Compound name

(1R,5S)-3-oxabicyclo[3.2.0]heptan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 112.05243 Da
Monoisotopic Mass: -0.4
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	110.9
[M+Na]+	135.041648	117.9
[M-H]-	111.045154	116.3
[M+NH4]+	130.086253	128.8
[M+K]+	151.015588	121.4
[M+H-H2O]+	95.049690	102.7
[M+HCOO]-	157.050631	132.2
[M+CH3COO]-	171.066281	170.8
[M+Na-2H]-	133.027096	118.7
[M]+	112.05188142	119.3
[M]-	112.05297858	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.