CID 108423

Ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate

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 152.6
[M+Na]+ 249.14611 161.3
[M-H]- 225.14961 159.9
[M+NH4]+ 244.19071 169.4
[M+K]+ 265.12005 162.2
[M+H-H2O]+ 209.15415 148.4
[M+HCOO]- 271.15509 169.7
[M+CH3COO]- 285.17074 193.2
[M+Na-2H]- 247.13156 157.6
[M]+ 226.15634 157.0
[M]- 226.15744 157.0
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

patents stripe