CID 139594877

Npeo5-so4

Structural Information

Molecular Formula
C25H44O9S
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C25H44O9S/c1-2-3-4-5-6-7-8-9-24-10-12-25(13-11-24)33-22-20-31-18-16-29-14-15-30-17-19-32-21-23-34-35(26,27)28/h10-13H,2-9,14-23H2,1H3,(H,26,27,28)
InChIKey
FEODFOVQSHKNKS-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2706 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.27788 224.5
[M+Na]+ 543.25982 224.2
[M-H]- 519.26332 223.5
[M+NH4]+ 538.30442 219.3
[M+K]+ 559.23376 221.4
[M+H-H2O]+ 503.26786 214.5
[M+HCOO]- 565.26880 236.2
[M+CH3COO]- 579.28445 237.7
[M+Na-2H]- 541.24527 223.4
[M]+ 520.27005 241.4
[M]- 520.27115 241.4
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.