CID 22045901

134761-64-1

Structural Information

Molecular Formula
C17H36O7S
SMILES
CCCCCCCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C17H36O7S/c1-3-4-5-6-7-8-9-20-10-11-21-12-13-22-14-15-23-16-17-24-25(2,18)19/h3-17H2,1-2H3
InChIKey
DWEVEPUSHNLNJC-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

384.21817 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22545 192.6
[M+Na]+ 407.20739 195.0
[M-H]- 383.21089 190.7
[M+NH4]+ 402.25199 203.6
[M+K]+ 423.18133 193.5
[M+H-H2O]+ 367.21543 185.0
[M+HCOO]- 429.21637 218.9
[M+CH3COO]- 443.23202 216.2
[M+Na-2H]- 405.19284 192.7
[M]+ 384.21762 208.2
[M]- 384.21872 208.2
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