CID 31469

22645-42-7

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCC1(COC(OC1)C(C)C)COC
InChI
InChI=1S/C12H24O3/c1-5-6-12(7-13-4)8-14-11(10(2)3)15-9-12/h10-11H,5-9H2,1-4H3
InChIKey
TXVWJQUUWDTJRT-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-2-propan-2-yl-5-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 151.4
[M+Na]+ 239.16177 161.5
[M+NH4]+ 234.20637 160.4
[M+K]+ 255.13571 154.8
[M-H]- 215.16527 155.1
[M+Na-2H]- 237.14722 155.5
[M]+ 216.17200 154.0
[M]- 216.17310 154.0
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.