CID 121494102

Peg-3 glyceryl triisostearate

Structural Information

Molecular Formula
C63H122O9
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OCCOCC(COCCOC(=O)CCCCCCCCCCCCCCC(C)C)OCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C63H122O9/c1-57(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-61(64)70-51-49-67-55-60(69-53-54-72-63(66)48-42-36-30-24-18-12-9-15-21-27-33-39-45-59(5)6)56-68-50-52-71-62(65)47-41-35-29-23-17-11-8-14-20-26-32-38-44-58(3)4/h57-60H,7-56H2,1-6H3
InChIKey
DJXPNUIRGNRCPQ-UHFFFAOYSA-N
Compound name
2-[2,3-bis[2-(16-methylheptadecanoyloxy)ethoxy]propoxy]ethyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1138
Patents

1022.9089 Da
Monoisotopic Mass

23.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1023.9162 358.6
[M+Na]+ 1045.8981 355.2
[M+NH4]+ 1040.9427 364.4
[M+K]+ 1061.8721 362.0
[M-H]- 1021.9016 342.2
[M+Na-2H]- 1043.8836 350.3
[M]+ 1022.9084 355.5
[M]- 1022.9094 355.5
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