CID 117941

Einecs 248-294-1

Structural Information

Molecular Formula
C35H64O11
SMILES
CCCCCCCCCC1=CC(=CC=C1)OCCCOCCOCCOCCOCCOCCOCCOCCOCCOCO
InChI
InChI=1S/C35H64O11/c1-2-3-4-5-6-7-8-11-34-12-9-13-35(32-34)46-15-10-14-37-16-17-38-18-19-39-20-21-40-22-23-41-24-25-42-26-27-43-28-29-44-30-31-45-33-36/h9,12-13,32,36H,2-8,10-11,14-31,33H2,1H3
InChIKey
BSZNKPSUDHKEJN-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[3-(3-nonylphenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

660.4449 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.45218 268.8
[M+Na]+ 683.43412 266.2
[M+NH4]+ 678.47872 269.1
[M+K]+ 699.40806 267.5
[M-H]- 659.43762 252.7
[M+Na-2H]- 681.41957 266.3
[M]+ 660.44435 264.5
[M]- 660.44545 264.5
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.