CID 60146227

581065-94-3

Structural Information

Molecular Formula
C22H36O9S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C22H36O9S/c1-19-5-7-20(8-6-19)32(24,25)30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-21(23)31-22(2,3)4/h5-8H,9-18H2,1-4H3
InChIKey
GGGJGMGLGUHUMW-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

476.208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.21528 212.1
[M+Na]+ 499.19722 217.6
[M+NH4]+ 494.24182 219.5
[M+K]+ 515.17116 212.8
[M-H]- 475.20072 208.2
[M+Na-2H]- 497.18267 212.2
[M]+ 476.20745 211.8
[M]- 476.20855 211.8
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