CID 10187601

Peg-8 laurate

Structural Information

Molecular Formula
C28H56O10
SMILES
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C28H56O10/c1-2-3-4-5-6-7-8-9-10-11-28(30)38-27-26-37-25-24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-29/h29H,2-27H2,1H3
InChIKey
MWEOKSUOWKDVIK-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3449
Patents

552.3873 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.39458 246.9
[M+Na]+ 575.37652 248.4
[M-H]- 551.38002 235.0
[M+NH4]+ 570.42112 249.1
[M+K]+ 591.35046 245.6
[M+H-H2O]+ 535.38456 247.4
[M+HCOO]- 597.38550 255.5
[M+CH3COO]- 611.40115 247.4
[M+Na-2H]- 573.36197 229.9
[M]+ 552.38675 247.4
[M]- 552.38785 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