CID 108423

60234-72-2

Structural Information

Molecular Formula
C13H22O3
SMILES
CCOC(=O)C1C2(O1)CC(CC(C2)(C)C)C
InChI
InChI=1S/C13H22O3/c1-5-15-11(14)10-13(16-10)7-9(2)6-12(3,4)8-13/h9-10H,5-8H2,1-4H3
InChIKey
RMWIEEYTJKQJFF-UHFFFAOYSA-N
Compound name
ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

226.15689 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16417 153.7
[M+Na]+ 249.14611 165.8
[M+NH4]+ 244.19071 164.9
[M+K]+ 265.12005 158.6
[M-H]- 225.14961 164.0
[M+Na-2H]- 247.13156 162.3
[M]+ 226.15634 159.8
[M]- 226.15744 159.8
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

patents stripe