CID 59030594

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

Structural Information

Molecular Formula
C12H18O5
SMILES
CCOC(=O)C1(CCC2(CC1)OCCO2)C=O
InChI
InChI=1S/C12H18O5/c1-2-15-10(14)11(9-13)3-5-12(6-4-11)16-7-8-17-12/h9H,2-8H2,1H3
InChIKey
MKIVRVCORBPIQI-UHFFFAOYSA-N
Compound name
ethyl 8-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

242.11542 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12270 152.3
[M+Na]+ 265.10464 157.4
[M-H]- 241.10814 158.3
[M+NH4]+ 260.14924 172.5
[M+K]+ 281.07858 159.2
[M+H-H2O]+ 225.11268 147.9
[M+HCOO]- 287.11362 169.3
[M+CH3COO]- 301.12927 186.5
[M+Na-2H]- 263.09009 158.0
[M]+ 242.11487 152.2
[M]- 242.11597 152.2
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