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 127.6
[M+Na]+ 193.08352 133.6
[M-H]- 169.08702 133.9
[M+NH4]+ 188.12812 144.4
[M+K]+ 209.05746 136.9
[M+H-H2O]+ 153.09156 119.3
[M+HCOO]- 215.09250 148.2
[M+CH3COO]- 229.10815 180.0
[M+Na-2H]- 191.06897 133.8
[M]+ 170.09375 136.8
[M]- 170.09485 136.8
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.