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

46
Patents

188.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 139.2
[M+Na]+ 211.094078 145.6
[M-H]- 187.097584 143.9
[M+NH4]+ 206.138683 158.4
[M+K]+ 227.068018 148.5
[M+H-H2O]+ 171.102120 134.6
[M+HCOO]- 233.103061 157.8
[M+CH3COO]- 247.118711 180.8
[M+Na-2H]- 209.079526 146.1
[M]+ 188.10431142 141.3
[M]- 188.10540858 141.3
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