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 202.4
[M+Na]+ 455.17102 205.8
[M-H]- 431.17452 204.6
[M+NH4]+ 450.21562 212.2
[M+K]+ 471.14496 204.7
[M+H-H2O]+ 415.17906 194.5
[M+HCOO]- 477.18000 216.2
[M+CH3COO]- 491.19565 223.1
[M+Na-2H]- 453.15647 203.8
[M]+ 432.18125 216.3
[M]- 432.18235 216.3
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