CID 10080157

Nonylphenol-11-ethoxylate

Structural Information

Molecular Formula
C37H68O12
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C37H68O12/c1-2-3-4-5-6-7-8-9-36-10-12-37(13-11-36)49-35-34-48-33-32-47-31-30-46-29-28-45-27-26-44-25-24-43-23-22-42-21-20-41-19-18-40-17-16-39-15-14-38/h10-13,38H,2-9,14-35H2,1H3
InChIKey
YFTZKLGVTSRCMS-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

704.47107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.47835 266.7
[M+Na]+ 727.46029 267.0
[M-H]- 703.46379 252.2
[M+NH4]+ 722.50489 269.1
[M+K]+ 743.43423 264.0
[M+H-H2O]+ 687.46833 267.7
[M+HCOO]- 749.46927 279.3
[M+CH3COO]- 763.48492 273.0
[M+Na-2H]- 725.44574 246.7
[M]+ 704.47052 268.2
[M]- 704.47162 268.2
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