CID 109276

4-ethoxy-2,6-dipropyl-1,3-dioxane

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCC1CC(OC(O1)CCC)OCC
InChI
InChI=1S/C12H24O3/c1-4-7-10-9-12(13-6-3)15-11(14-10)8-5-2/h10-12H,4-9H2,1-3H3
InChIKey
RPALXJBZCMATOD-UHFFFAOYSA-N
Compound name
4-ethoxy-2,6-dipropyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17255 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 153.0
[M+Na]+ 239.16177 158.0
[M-H]- 215.16527 156.9
[M+NH4]+ 234.20637 169.3
[M+K]+ 255.13571 159.4
[M+H-H2O]+ 199.16981 146.9
[M+HCOO]- 261.17075 171.0
[M+CH3COO]- 275.18640 190.0
[M+Na-2H]- 237.14722 157.2
[M]+ 216.17200 156.1
[M]- 216.17310 156.1
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.