CID 54231124

Hexaglycol ether sulfate

Structural Information

Molecular Formula
C16H34O12S
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O)O
InChI
InChI=1S/C16H34O12S/c17-1-2-21-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-29(18,19)20/h17H,1-16H2,(H,18,19,20)
InChIKey
QJIJGAHDHRUUCX-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

450.1771 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18438 212.9
[M+Na]+ 473.16632 212.0
[M-H]- 449.16982 204.4
[M+NH4]+ 468.21092 213.7
[M+K]+ 489.14026 206.2
[M+H-H2O]+ 433.17436 211.0
[M+HCOO]- 495.17530 226.8
[M+CH3COO]- 509.19095 218.7
[M+Na-2H]- 471.15177 198.2
[M]+ 450.17655 215.4
[M]- 450.17765 215.4
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

patents stripe