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]+ 227.164166 152.6
[M+Na]+ 249.146108 161.3
[M-H]- 225.149614 159.9
[M+NH4]+ 244.190713 169.4
[M+K]+ 265.120048 162.2
[M+H-H2O]+ 209.154150 148.4
[M+HCOO]- 271.155091 169.7
[M+CH3COO]- 285.170741 193.2
[M+Na-2H]- 247.131556 157.6
[M]+ 226.15634142 157.0
[M]- 226.15743858 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