CID 105761

67845-40-3

Structural Information

Molecular Formula
C35H62O11
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C
InChI
InChI=1S/C35H62O11/c1-3-4-5-6-7-8-9-10-34-11-13-35(14-12-34)46-32-30-44-28-26-42-24-22-40-20-18-38-16-15-37-17-19-39-21-23-41-25-27-43-29-31-45-33(2)36/h11-14H,3-10,15-32H2,1-2H3
InChIKey
WSRIFSCIMSMXJL-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.4292 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.43648 269.3
[M+Na]+ 681.41842 267.0
[M+NH4]+ 676.46302 271.0
[M+K]+ 697.39236 268.2
[M-H]- 657.42192 254.8
[M+Na-2H]- 679.40387 267.4
[M]+ 658.42865 265.7
[M]- 658.42975 265.7
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.