CID 21930814

477775-57-8

Structural Information

Molecular Formula
C16H34O10S
SMILES
COCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C16H34O10S/c1-19-3-4-20-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-15-16-26-27(2,17)18/h3-16H2,1-2H3
InChIKey
ABSVPRBGVPHWDJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

418.18726 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19454 193.4
[M+Na]+ 441.17648 209.7
[M-H]- 417.17998 198.5
[M+NH4]+ 436.22108 211.4
[M+K]+ 457.15042 195.9
[M+H-H2O]+ 401.18452 185.2
[M+HCOO]- 463.18546 224.8
[M+CH3COO]- 477.20111 219.2
[M+Na-2H]- 439.16193 195.2
[M]+ 418.18671 212.3
[M]- 418.18781 212.3
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