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 147.0
[M+Na]+ 248.03855 152.3
[M-H]- 224.04205 146.5
[M+NH4]+ 243.08315 163.3
[M+K]+ 264.01249 148.6
[M+H-H2O]+ 208.04659 141.2
[M+HCOO]- 270.04753 153.8
[M+CH3COO]- 284.06318 180.0
[M+Na-2H]- 246.02400 148.2
[M]+ 225.04878 145.9
[M]- 225.04988 145.9
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.