CID 24838540

7-methyl-2,6,9,12-tetraoxahexadecane

Structural Information

Molecular Formula
C13H28O4
SMILES
CCCCOCCOCC(C)OCCCOC
InChI
InChI=1S/C13H28O4/c1-4-5-8-15-10-11-16-12-13(2)17-9-6-7-14-3/h13H,4-12H2,1-3H3
InChIKey
PXWCUJRVSZCPHE-UHFFFAOYSA-N
Compound name
1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

844
Patents

248.19876 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.20604 161.0
[M+Na]+ 271.18798 168.9
[M+NH4]+ 266.23258 166.8
[M+K]+ 287.16192 163.2
[M-H]- 247.19148 159.0
[M+Na-2H]- 269.17343 162.1
[M]+ 248.19821 161.2
[M]- 248.19931 161.2
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