CID 21671349

1820574-46-6

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CO[C@H]2[C@@H]1CC2=O
InChI
InChI=1S/C6H8O2/c7-5-3-4-1-2-8-6(4)5/h4,6H,1-3H2/t4-,6-/m0/s1
InChIKey
XKRBHKQNGYBGBD-NJGYIYPDSA-N
Compound name
(1S,5S)-2-oxabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.05243 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 110.9
[M+Na]+ 135.04165 117.9
[M-H]- 111.04515 116.3
[M+NH4]+ 130.08625 128.8
[M+K]+ 151.01559 121.4
[M+H-H2O]+ 95.049690 102.7
[M+HCOO]- 157.05063 132.2
[M+CH3COO]- 171.06628 170.8
[M+Na-2H]- 133.02710 118.7
[M]+ 112.05188 119.3
[M]- 112.05298 119.3
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

No patent data available for this compound.