CID 446506

1-deoxy-1-thio-heptaethylene glycol

Structural Information

Molecular Formula
C14H30O7S
SMILES
C(COCCOCCOCCOCCOCCOCCS)O
InChI
InChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2
InChIKey
ACMBXVJDKVNCGH-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

342.17123 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17851 178.8
[M+Na]+ 365.16045 181.1
[M-H]- 341.16395 175.7
[M+NH4]+ 360.20505 191.7
[M+K]+ 381.13439 180.2
[M+H-H2O]+ 325.16849 171.1
[M+HCOO]- 387.16943 194.7
[M+CH3COO]- 401.18508 205.9
[M+Na-2H]- 363.14590 178.9
[M]+ 342.17068 193.2
[M]- 342.17178 193.2
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.