CID 129560847

Ethyleneglycol palmitate/stearate

Structural Information

Molecular Formula
C36H70O5
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C36H70O5/c1-2-3-4-5-6-7-8-12-15-18-21-24-27-30-35(38)40-33-29-26-23-20-17-14-11-9-10-13-16-19-22-25-28-31-36(39)41-34-32-37/h37H,2-34H2,1H3
InChIKey
ORMITEZVQRRABL-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 18-hexadecanoyloxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

582.52234 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.529616 257.2
[M+Na]+ 605.511558 261.2
[M-H]- 581.515064 241.4
[M+NH4]+ 600.556163 257.5
[M+K]+ 621.485498 262.2
[M+H-H2O]+ 565.519600 256.7
[M+HCOO]- 627.520541 261.3
[M+CH3COO]- 641.536191 260.4
[M+Na-2H]- 603.497006 240.0
[M]+ 582.52179142 256.6
[M]- 582.52288858 256.6
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