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
2
Annotation Hits

0
References

1
Patents

216.17255 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.179826 153.0
[M+Na]+ 239.161768 158.0
[M-H]- 215.165274 156.9
[M+NH4]+ 234.206373 169.3
[M+K]+ 255.135708 159.4
[M+H-H2O]+ 199.169810 146.9
[M+HCOO]- 261.170751 171.0
[M+CH3COO]- 275.186401 190.0
[M+Na-2H]- 237.147216 157.2
[M]+ 216.17200142 156.1
[M]- 216.17309858 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

patents stripe