CID 86692383

Ethyl 2-methyl-5-oxo-1,3-dioxane-2-carboxylate

Structural Information

Molecular Formula
C8H12O5
SMILES
CCOC(=O)C1(OCC(=O)CO1)C
InChI
InChI=1S/C8H12O5/c1-3-11-7(10)8(2)12-4-6(9)5-13-8/h3-5H2,1-2H3
InChIKey
DEVLWHGFQZESFA-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-5-oxo-1,3-dioxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

188.06847 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.075746 135.6
[M+Na]+ 211.057688 142.6
[M-H]- 187.061194 140.5
[M+NH4]+ 206.102293 154.6
[M+K]+ 227.031628 145.6
[M+H-H2O]+ 171.065730 131.1
[M+HCOO]- 233.066671 154.9
[M+CH3COO]- 247.082321 179.1
[M+Na-2H]- 209.043136 143.2
[M]+ 188.06792142 138.2
[M]- 188.06901858 138.2
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