CID 12502784

35113-48-5

Structural Information

Molecular Formula

C₁₃H₂₂O₆

SMILES

CCOC(=O)C1(COC(OC1)C(C)C)C(=O)OCC

InChI

InChI=1S/C13H22O6/c1-5-16-11(14)13(12(15)17-6-2)7-18-10(9(3)4)19-8-13/h9-10H,5-8H2,1-4H3

InChIKey

IELCLUJNTNQUEW-UHFFFAOYSA-N

Compound name

diethyl 2-propan-2-yl-1,3-dioxane-5,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 274.14163 Da
Monoisotopic Mass: 1.7
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]+	275.14891	162.2
[M+Na]+	297.13085	170.0
[M+NH4]+	292.17545	168.4
[M+K]+	313.10479	166.3
[M-H]-	273.13435	163.3
[M+Na-2H]-	295.11630	163.8
[M]+	274.14108	163.4
[M]-	274.14218	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe