CID 75535073

M-peg12-thiol

Structural Information

Molecular Formula
C25H52O12S
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
InChI
InChI=1S/C25H52O12S/c1-26-2-3-27-4-5-28-6-7-29-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-25-38/h38H,2-25H2,1H3
InChIKey
MXDXXEVQFMVAIA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.31793 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.32521 259.3
[M+Na]+ 599.30715 257.9
[M-H]- 575.31065 244.3
[M+NH4]+ 594.35175 262.3
[M+K]+ 615.28109 254.9
[M+H-H2O]+ 559.31519 260.2
[M+HCOO]- 621.31613 270.4
[M+CH3COO]- 635.33178 248.5
[M+Na-2H]- 597.29260 240.2
[M]+ 576.31738 262.6
[M]- 576.31848 262.6
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

No patent data available for this compound.