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
2
Annotation Hits

0
References

100
Patents

548.42883 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.43611 247.4
[M+Na]+ 571.41805 249.6
[M-H]- 547.42155 233.4
[M+NH4]+ 566.46265 248.1
[M+K]+ 587.39199 247.9
[M+H-H2O]+ 531.42609 247.4
[M+HCOO]- 593.42703 255.3
[M+CH3COO]- 607.44268 249.4
[M+Na-2H]- 569.40350 230.4
[M]+ 548.42828 247.4
[M]- 548.42938 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

patents stripe