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 174.7
[M+Na]+ 356.09606 178.6
[M-H]- 332.09956 175.0
[M+NH4]+ 351.14066 187.6
[M+K]+ 372.07000 172.8
[M+H-H2O]+ 316.10410 167.2
[M+HCOO]- 378.10504 185.7
[M+CH3COO]- 392.12069 203.8
[M+Na-2H]- 354.08151 176.5
[M]+ 333.10629 179.9
[M]- 333.10739 179.9
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.