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

24
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 213.3
[M+Na]+ 499.19722 215.3
[M-H]- 475.20072 214.9
[M+NH4]+ 494.24182 209.4
[M+K]+ 515.17116 214.6
[M+H-H2O]+ 459.20526 204.7
[M+HCOO]- 521.20620 222.9
[M+CH3COO]- 535.22185 230.9
[M+Na-2H]- 497.18267 214.2
[M]+ 476.20745 229.1
[M]- 476.20855 229.1
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