CID 97184546

Rac-(3r,4s)-3-ethoxy-5-oxaspiro[3.4]octan-1-one

Structural Information

Molecular Formula
C9H14O3
SMILES
CCO[C@H]1CC(=O)[C@@]12CCCO2
InChI
InChI=1S/C9H14O3/c1-2-11-8-6-7(10)9(8)4-3-5-12-9/h8H,2-6H2,1H3/t8-,9-/m0/s1
InChIKey
GSYAMIGDGVVWAF-IUCAKERBSA-N
Compound name
(1S,4R)-1-ethoxy-5-oxaspiro[3.4]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 134.8
[M+Na]+ 193.08352 140.0
[M+NH4]+ 188.12812 140.6
[M+K]+ 209.05746 137.2
[M-H]- 169.08702 134.6
[M+Na-2H]- 191.06897 137.2
[M]+ 170.09375 134.3
[M]- 170.09485 134.3
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.