CID 14913070

Ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C11H18O5
SMILES
CCOC(=O)C1(CCC2(CC1)OCCO2)O
InChI
InChI=1S/C11H18O5/c1-2-14-9(12)10(13)3-5-11(6-4-10)15-7-8-16-11/h13H,2-8H2,1H3
InChIKey
WPIGRKQDNYKUGH-UHFFFAOYSA-N
Compound name
ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.11542 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12270 149.8
[M+Na]+ 253.10464 154.7
[M-H]- 229.10814 154.6
[M+NH4]+ 248.14924 169.9
[M+K]+ 269.07858 156.3
[M+H-H2O]+ 213.11268 145.8
[M+HCOO]- 275.11362 165.5
[M+CH3COO]- 289.12927 181.8
[M+Na-2H]- 251.09009 155.6
[M]+ 230.11487 148.3
[M]- 230.11597 148.3
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