CID 15919106

Npeo6-so4

Structural Information

Molecular Formula
C27H48O10S
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C27H48O10S/c1-2-3-4-5-6-7-8-9-26-10-12-27(13-11-26)36-24-22-34-20-18-32-16-14-31-15-17-33-19-21-35-23-25-37-38(28,29)30/h10-13H,2-9,14-25H2,1H3,(H,28,29,30)
InChIKey
DCVXQTZKGDLQBC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.2968 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.30408 234.0
[M+Na]+ 587.28602 230.3
[M-H]- 563.28952 216.8
[M+NH4]+ 582.33062 230.5
[M+K]+ 603.25996 230.0
[M+H-H2O]+ 547.29406 223.4
[M+HCOO]- 609.29500 245.9
[M+CH3COO]- 623.31065 245.2
[M+Na-2H]- 585.27147 232.6
[M]+ 564.29625 231.7
[M]- 564.29735 231.7
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.