CID 210303

S-2-((6-phenoxyhexyl)amino)ethyl thiosulfate

Structural Information

Molecular Formula
C14H23NO4S2
SMILES
C1=CC=C(C=C1)OCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H23NO4S2/c16-21(17,18)20-13-11-15-10-6-1-2-7-12-19-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H,16,17,18)
InChIKey
YQGZURCHBKZRLT-UHFFFAOYSA-N
Compound name
6-(2-sulfosulfanylethylamino)hexoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.10684 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11412 175.0
[M+Na]+ 356.09606 182.3
[M+NH4]+ 351.14066 180.8
[M+K]+ 372.07000 173.3
[M-H]- 332.09956 174.9
[M+Na-2H]- 354.08151 177.8
[M]+ 333.10629 176.7
[M]- 333.10739 176.7
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.