CID 13275066

Nonylphenol-18-ethoxylate

Structural Information

Molecular Formula
C51H96O19
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C51H96O19/c1-2-3-4-5-6-7-8-9-50-10-12-51(13-11-50)70-49-48-69-47-46-68-45-44-67-43-42-66-41-40-65-39-38-64-37-36-63-35-34-62-33-32-61-31-30-60-29-28-59-27-26-58-25-24-57-23-22-56-21-20-55-19-18-54-17-16-53-15-14-52/h10-13,52H,2-9,14-49H2,1H3
InChIKey
ZZZCKEGAUVPGMK-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1012.6546 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1013.6619 344.3
[M+Na]+ 1035.6438 338.5
[M-H]- 1011.6473 329.0
[M+NH4]+ 1030.6884 351.6
[M+K]+ 1051.6178 340.4
[M+H-H2O]+ 995.65186 344.4
[M+HCOO]- 1057.6528 349.9
[M+CH3COO]- 1071.6685 315.8
[M+Na-2H]- 1033.6293 315.6
[M]+ 1012.6541 352.8
[M]- 1012.6551 352.8
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

No patent data available for this compound.