CID 86088

5-ethyl-2,6-dipropyl-1,3-dioxan-4-ol

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCC1C(C(OC(O1)CCC)O)CC
InChI
InChI=1S/C12H24O3/c1-4-7-10-9(6-3)12(13)15-11(14-10)8-5-2/h9-13H,4-8H2,1-3H3
InChIKey
OHFLMXOCEVFBCA-UHFFFAOYSA-N
Compound name
5-ethyl-2,6-dipropyl-1,3-dioxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.17255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 151.5
[M+Na]+ 239.16177 162.0
[M+NH4]+ 234.20637 158.8
[M+K]+ 255.13571 156.9
[M-H]- 215.16527 155.0
[M+Na-2H]- 237.14722 153.3
[M]+ 216.17200 153.9
[M]- 216.17310 153.9
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