CID 216668

37582-34-6

Structural Information

Molecular Formula
C18H34O4
SMILES
CC1CCOC(O1)CCCCCCCCC2OCCC(O2)C
InChI
InChI=1S/C18H34O4/c1-15-11-13-19-17(21-15)9-7-5-3-4-6-8-10-18-20-14-12-16(2)22-18/h15-18H,3-14H2,1-2H3
InChIKey
ITAAERDICIBAOA-UHFFFAOYSA-N
Compound name
4-methyl-2-[8-(4-methyl-1,3-dioxan-2-yl)octyl]-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2457 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 181.2
[M+Na]+ 337.23492 190.9
[M+NH4]+ 332.27952 187.9
[M+K]+ 353.20886 185.1
[M-H]- 313.23842 189.2
[M+Na-2H]- 335.22037 182.0
[M]+ 314.24515 184.8
[M]- 314.24625 184.8
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.