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 159.4
[M+Na]+ 251.19814 163.6
[M-H]- 227.20164 163.0
[M+NH4]+ 246.24274 175.4
[M+K]+ 267.17208 164.0
[M+H-H2O]+ 211.20618 153.2
[M+HCOO]- 273.20712 176.5
[M+CH3COO]- 287.22277 193.9
[M+Na-2H]- 249.18359 162.5
[M]+ 228.20837 161.7
[M]- 228.20947 161.7
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.