CID 24779

9051-57-4

Structural Information

Molecular Formula
C23H40O8S
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C23H40O8S/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)30-20-18-28-16-14-27-15-17-29-19-21-31-32(24,25)26/h10-13H,2-9,14-21H2,1H3,(H,24,25,26)
InChIKey
JYUQOKPBOVCAMU-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

807
Patents

476.2444 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.25168 214.5
[M+Na]+ 499.23362 215.5
[M-H]- 475.23712 214.0
[M+NH4]+ 494.27822 221.6
[M+K]+ 515.20756 212.3
[M+H-H2O]+ 459.24166 205.2
[M+HCOO]- 521.24260 228.1
[M+CH3COO]- 535.25825 230.1
[M+Na-2H]- 497.21907 213.8
[M]+ 476.24385 229.4
[M]- 476.24495 229.4
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.