CID 11019611

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate

Structural Information

Molecular Formula
C9H16O4
SMILES
CCOC(=O)C1COC(OC1)(C)C
InChI
InChI=1S/C9H16O4/c1-4-11-8(10)7-5-12-9(2,3)13-6-7/h7H,4-6H2,1-3H3
InChIKey
MYGMWHATZAFUIU-UHFFFAOYSA-N
Compound name
ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

188.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 140.3
[M+Na]+ 211.09408 150.6
[M+NH4]+ 206.13868 148.9
[M+K]+ 227.06802 145.1
[M-H]- 187.09758 143.3
[M+Na-2H]- 209.07953 144.6
[M]+ 188.10431 142.6
[M]- 188.10541 142.6
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