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 184.8
[M+Na]+ 337.23492 185.6
[M-H]- 313.23842 191.3
[M+NH4]+ 332.27952 193.6
[M+K]+ 353.20886 187.7
[M+H-H2O]+ 297.24296 176.8
[M+HCOO]- 359.24390 196.0
[M+CH3COO]- 373.25955 207.7
[M+Na-2H]- 335.22037 186.4
[M]+ 314.24515 185.6
[M]- 314.24625 185.6
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.