CID 60146205

Tos-peg4-t-butyl ester

Structural Information

Molecular Formula
C20H32O8S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C20H32O8S/c1-17-5-7-18(8-6-17)29(22,23)27-16-15-26-14-13-25-12-11-24-10-9-19(21)28-20(2,3)4/h5-8H,9-16H2,1-4H3
InChIKey
AAQWIVKRAHBPDM-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

432.1818 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18908 201.7
[M+Na]+ 455.17102 208.2
[M+NH4]+ 450.21562 204.2
[M+K]+ 471.14496 203.3
[M-H]- 431.17452 198.4
[M+Na-2H]- 453.15647 202.6
[M]+ 432.18125 201.8
[M]- 432.18235 201.8
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