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]+ 141.05463 126.4
[M+Na]+ 163.03657 138.6
[M-H]- 139.04007 133.2
[M+NH4]+ 158.08117 146.9
[M+K]+ 179.01051 137.8
[M+H-H2O]+ 123.04461 122.9
[M+HCOO]- 185.04555 148.4
[M+CH3COO]- 199.06120 176.0
[M+Na-2H]- 161.02202 134.2
[M]+ 140.04680 132.0
[M]- 140.04790 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.