CID 117121

1,5-dioxaspiro(5.5)undecane-3,3-dicarboxylic acid, diethyl ester

Structural Information

Molecular Formula
C15H24O6
SMILES
CCOC(=O)C1(COC2(CCCCC2)OC1)C(=O)OCC
InChI
InChI=1S/C15H24O6/c1-3-18-12(16)14(13(17)19-4-2)10-20-15(21-11-14)8-6-5-7-9-15/h3-11H2,1-2H3
InChIKey
XNASOZGGRNSFGK-UHFFFAOYSA-N
Compound name
diethyl 1,5-dioxaspiro[5.5]undecane-3,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

300.1573 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16458 168.7
[M+Na]+ 323.14652 171.3
[M-H]- 299.15002 173.9
[M+NH4]+ 318.19112 184.5
[M+K]+ 339.12046 174.1
[M+H-H2O]+ 283.15456 162.7
[M+HCOO]- 345.15550 181.7
[M+CH3COO]- 359.17115 198.5
[M+Na-2H]- 321.13197 173.2
[M]+ 300.15675 168.4
[M]- 300.15785 168.4
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