CID 109449

3,5,8,10-tetraoxadodecane, 4,9-diethyl-6-methyl-

Structural Information

Molecular Formula
C13H28O4
SMILES
CCC(OCC)OCC(C)OC(CC)OCC
InChI
InChI=1S/C13H28O4/c1-6-12(14-8-3)16-10-11(5)17-13(7-2)15-9-4/h11-13H,6-10H2,1-5H3
InChIKey
DXZGJIYLOWYPML-UHFFFAOYSA-N
Compound name
1-ethoxy-1-[2-(1-ethoxypropoxy)propoxy]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

248.19876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.206036 164.2
[M+Na]+ 271.187978 167.7
[M-H]- 247.191484 163.3
[M+NH4]+ 266.232583 181.4
[M+K]+ 287.161918 169.0
[M+H-H2O]+ 231.196020 158.0
[M+HCOO]- 293.196961 183.7
[M+CH3COO]- 307.212611 198.6
[M+Na-2H]- 269.173426 163.7
[M]+ 248.19821142 172.0
[M]- 248.19930858 172.0
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

patents stripe