CID 166523

80480-24-6

Structural Information

Molecular Formula
C13H26O2
SMILES
CCCC(C)C1OCC(CO1)(C)CCC
InChI
InChI=1S/C13H26O2/c1-5-7-11(3)12-14-9-13(4,8-6-2)10-15-12/h11-12H,5-10H2,1-4H3
InChIKey
LODLFUCEWWWXPR-UHFFFAOYSA-N
Compound name
5-methyl-2-pentan-2-yl-5-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

228
Patents

214.19328 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.20056 153.0
[M+Na]+ 237.18250 163.4
[M+NH4]+ 232.22710 162.4
[M+K]+ 253.15644 155.9
[M-H]- 213.18600 157.2
[M+Na-2H]- 235.16795 157.3
[M]+ 214.19273 155.8
[M]- 214.19383 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe