CID 28514

5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane

Structural Information

Molecular Formula
C12H24O3
SMILES
CCC1(COC(OC1)C(C)C)CCOC
InChI
InChI=1S/C12H24O3/c1-5-12(6-7-13-4)8-14-11(10(2)3)15-9-12/h10-11H,5-9H2,1-4H3
InChIKey
DLDWSRMEZOEAGS-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.179826 151.9
[M+Na]+ 239.161768 156.6
[M-H]- 215.165274 155.9
[M+NH4]+ 234.206373 169.9
[M+K]+ 255.135708 158.9
[M+H-H2O]+ 199.169810 146.7
[M+HCOO]- 261.170751 168.9
[M+CH3COO]- 275.186401 189.2
[M+Na-2H]- 237.147216 156.9
[M]+ 216.17200142 154.3
[M]- 216.17309858 154.3
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

No patent data available for this compound.