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

10
Patents

300.1573 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.164576 168.7
[M+Na]+ 323.146518 171.3
[M-H]- 299.150024 173.9
[M+NH4]+ 318.191123 184.5
[M+K]+ 339.120458 174.1
[M+H-H2O]+ 283.154560 162.7
[M+HCOO]- 345.155501 181.7
[M+CH3COO]- 359.171151 198.5
[M+Na-2H]- 321.131966 173.2
[M]+ 300.15675142 168.4
[M]- 300.15784858 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