CID 146082343

Rac-(1r,5s)-1-ethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula
C7H8O3
SMILES
CC[C@]12C[C@H]1C(=O)OC2=O
InChI
InChI=1S/C7H8O3/c1-2-7-3-4(7)5(8)10-6(7)9/h4H,2-3H2,1H3/t4-,7-/m0/s1
InChIKey
ALVOTDUNMODCRQ-FFWSUHOLSA-N
Compound name
(1S,5R)-1-ethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 126.4
[M+Na]+ 163.036568 138.6
[M-H]- 139.040074 133.2
[M+NH4]+ 158.081173 146.9
[M+K]+ 179.010508 137.8
[M+H-H2O]+ 123.044610 122.9
[M+HCOO]- 185.045551 148.4
[M+CH3COO]- 199.061201 176.0
[M+Na-2H]- 161.022016 134.2
[M]+ 140.04680142 132.0
[M]- 140.04789858 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.