CID 98580

Thiosulfuric acid, s-2-piperidinoethyl ester

Structural Information

Molecular Formula
C7H15NO3S2
SMILES
C1CCN(CC1)CCSS(=O)(=O)O
InChI
InChI=1S/C7H15NO3S2/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h1-7H2,(H,9,10,11)
InChIKey
ZWEULOCIMMNCSC-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04933 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05661 147.2
[M+Na]+ 248.03855 154.8
[M+NH4]+ 243.08315 154.3
[M+K]+ 264.01249 147.1
[M-H]- 224.04205 146.4
[M+Na-2H]- 246.02400 149.1
[M]+ 225.04878 148.7
[M]- 225.04988 148.7
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.