CID 139595499

Npeo10-so4

Structural Information

Molecular Formula
C35H64O14S
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C35H64O14S/c1-2-3-4-5-6-7-8-9-34-10-12-35(13-11-34)48-32-30-46-28-26-44-24-22-42-20-18-40-16-14-39-15-17-41-19-21-43-23-25-45-27-29-47-31-33-49-50(36,37)38/h10-13H,2-9,14-33H2,1H3,(H,36,37,38)
InChIKey
IWVQJTNBNNBXIG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

740.4017 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 741.40898 272.2
[M+Na]+ 763.39092 270.4
[M-H]- 739.39442 260.0
[M+NH4]+ 758.43552 276.9
[M+K]+ 779.36486 268.4
[M+H-H2O]+ 723.39896 271.2
[M+HCOO]- 785.39990 285.8
[M+CH3COO]- 799.41555 273.8
[M+Na-2H]- 761.37637 251.4
[M]+ 740.40115 277.1
[M]- 740.40225 277.1
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.