CID 228780

Nsc21906

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCCCC1OC(CC(O1)C)C
InChI
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14-15-12(2)11-13(3)16-14/h12-14H,4-11H2,1-3H3
InChIKey
ZXUGODBUCOFIFE-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-octyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.20892 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 157.3
[M+Na]+ 251.19814 168.1
[M+NH4]+ 246.24274 165.2
[M+K]+ 267.17208 161.4
[M-H]- 227.20164 161.8
[M+Na-2H]- 249.18359 159.8
[M]+ 228.20837 160.1
[M]- 228.20947 160.1
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.