CID 15564975

1-oxaspiro(2.5)octane-2-carboxylic acid, 2-methyl-, ethyl ester

Structural Information

Molecular Formula
C11H18O3
SMILES
CCOC(=O)C1(C2(O1)CCCCC2)C
InChI
InChI=1S/C11H18O3/c1-3-13-9(12)10(2)11(14-10)7-5-4-6-8-11/h3-8H2,1-2H3
InChIKey
DTSQPPVGQIJERI-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 146.8
[M+Na]+ 221.114818 154.6
[M-H]- 197.118324 153.8
[M+NH4]+ 216.159423 164.1
[M+K]+ 237.088758 156.1
[M+H-H2O]+ 181.122860 142.2
[M+HCOO]- 243.123801 164.7
[M+CH3COO]- 257.139451 185.2
[M+Na-2H]- 219.100266 153.8
[M]+ 198.12505142 149.7
[M]- 198.12614858 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe