CID 11678489

3520-90-9

Structural Information

Molecular Formula
C30H54O9
SMILES
CCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H54O9/c1-2-3-4-5-6-7-8-29-9-11-30(12-10-29)39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33-16-15-32-14-13-31/h9-12,31H,2-8,13-28H2,1H3
InChIKey
GAGGDWODDNZVFP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.3768 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.38408 231.8
[M+Na]+ 581.36602 235.0
[M-H]- 557.36952 218.1
[M+NH4]+ 576.41062 232.1
[M+K]+ 597.33996 233.9
[M+H-H2O]+ 541.37406 226.9
[M+HCOO]- 603.37500 247.5
[M+CH3COO]- 617.39065 249.0
[M+Na-2H]- 579.35147 235.7
[M]+ 558.37625 232.4
[M]- 558.37735 232.4
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

No patent data available for this compound.