CID 14747133

Hexaethylene glycol stearate

Structural Information

Molecular Formula
C30H60O8
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H60O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(32)38-29-28-37-27-26-36-25-24-35-23-22-34-21-20-33-19-18-31/h31H,2-29H2,1H3
InChIKey
RNEYPGHUQWWHBD-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

548.42883 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.436106 247.4
[M+Na]+ 571.418048 249.6
[M-H]- 547.421554 233.4
[M+NH4]+ 566.462653 248.1
[M+K]+ 587.391988 247.9
[M+H-H2O]+ 531.426090 247.4
[M+HCOO]- 593.427031 255.3
[M+CH3COO]- 607.442681 249.4
[M+Na-2H]- 569.403496 230.4
[M]+ 548.42828142 247.4
[M]- 548.42937858 247.4
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.