CID 44150175

Einecs 308-103-5

Structural Information

Molecular Formula
C38H76O17
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C38H76O17/c1-3-5-6-37(4-2)38(40)55-36-35-54-34-33-53-32-31-52-30-29-51-28-27-50-26-25-49-24-23-48-22-21-47-20-19-46-18-17-45-16-15-44-14-13-43-12-11-42-10-9-41-8-7-39/h37,39H,3-36H2,1-2H3
InChIKey
OTPTWIDKFJNKQU-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

804.50824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 805.51552 313.7
[M+Na]+ 827.49746 310.1
[M-H]- 803.50096 303.8
[M+NH4]+ 822.54206 322.4
[M+K]+ 843.47140 311.1
[M+H-H2O]+ 787.50550 314.1
[M+HCOO]- 849.50644 314.8
[M+CH3COO]- 863.52209 285.2
[M+Na-2H]- 825.48291 289.4
[M]+ 804.50769 319.0
[M]- 804.50879 319.0
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.