CID 31452

5-ethyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane

Structural Information

Molecular Formula
C10H20O3
SMILES
CCC1(COC(OC1)C)C(C)OC
InChI
InChI=1S/C10H20O3/c1-5-10(8(2)11-4)6-12-9(3)13-7-10/h8-9H,5-7H2,1-4H3
InChIKey
BEOAGXKTCHJHLT-UHFFFAOYSA-N
Compound name
5-ethyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.14125 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14853 142.5
[M+Na]+ 211.13047 153.0
[M+NH4]+ 206.17507 151.8
[M+K]+ 227.10441 146.8
[M-H]- 187.13397 146.3
[M+Na-2H]- 209.11592 147.1
[M]+ 188.14070 145.2
[M]- 188.14180 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.