CID 460392

26-(4-octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol

Structural Information

Molecular Formula
C32H58O10
SMILES
CCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C32H58O10/c1-2-3-4-5-6-7-8-31-9-11-32(12-10-31)42-30-29-41-28-27-40-26-25-39-24-23-38-22-21-37-20-19-36-18-17-35-16-15-34-14-13-33/h9-12,33H,2-8,13-30H2,1H3
InChIKey
LFDLTLMEBDARLN-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

426
Patents

602.403 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.41028 242.1
[M+Na]+ 625.39222 244.4
[M-H]- 601.39572 228.3
[M+NH4]+ 620.43682 243.1
[M+K]+ 641.36616 239.6
[M+H-H2O]+ 585.40026 243.5
[M+HCOO]- 647.40120 257.0
[M+CH3COO]- 661.41685 256.3
[M+Na-2H]- 623.37767 225.2
[M]+ 602.40245 242.9
[M]- 602.40355 242.9
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.