CID 542446

20636-48-0

Structural Information

Molecular Formula
C25H44O6
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCO
InChI
InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-9-24-10-12-25(13-11-24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h10-13,26H,2-9,14-23H2,1H3
InChIKey
PITRRWWILGYENJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1287
Patents

440.31378 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.32106 213.1
[M+Na]+ 463.30300 213.3
[M-H]- 439.30650 212.1
[M+NH4]+ 458.34760 221.5
[M+K]+ 479.27694 210.1
[M+H-H2O]+ 423.31104 203.2
[M+HCOO]- 485.31198 231.8
[M+CH3COO]- 499.32763 229.3
[M+Na-2H]- 461.28845 211.8
[M]+ 440.31323 225.8
[M]- 440.31433 225.8
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