CID 14694167

51437-94-6

Structural Information

Molecular Formula
C26H46O7
SMILES
CCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C26H46O7/c1-2-3-4-5-6-7-8-25-9-11-26(12-10-25)33-24-23-32-22-21-31-20-19-30-18-17-29-16-15-28-14-13-27/h9-12,27H,2-8,13-24H2,1H3
InChIKey
BBGAUVWUGVOCBQ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.32434 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.33162 219.2
[M+Na]+ 493.31356 218.7
[M-H]- 469.31706 218.0
[M+NH4]+ 488.35816 226.2
[M+K]+ 509.28750 216.1
[M+H-H2O]+ 453.32160 208.8
[M+HCOO]- 515.32254 237.7
[M+CH3COO]- 529.33819 234.0
[M+Na-2H]- 491.29901 217.7
[M]+ 470.32379 233.7
[M]- 470.32489 233.7
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.