CID 100030

7-oxabicyclo[4.1.0]heptan-2-one

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC2C(O2)C(=O)C1
InChI
InChI=1S/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h5-6H,1-3H2
InChIKey
QKOHEJBTNOEACF-UHFFFAOYSA-N
Compound name
7-oxabicyclo[4.1.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

253
Patents

112.05243 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 120.7
[M+Na]+ 135.04165 133.9
[M+NH4]+ 130.08625 130.8
[M+K]+ 151.01559 129.9
[M-H]- 111.04515 130.6
[M+Na-2H]- 133.02710 127.9
[M]+ 112.05188 126.4
[M]- 112.05298 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe