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: 19
Patents: 188.06847 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.07575	137.9
[M+Na]+	211.05769	147.9
[M+NH4]+	206.10229	145.8
[M+K]+	227.03163	143.1
[M-H]-	187.06119	140.2
[M+Na-2H]-	209.04314	141.9
[M]+	188.06792	139.9
[M]-	188.06902	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe