CID 98580

30419-75-1

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]+ 226.056606 147.0
[M+Na]+ 248.038548 152.3
[M-H]- 224.042054 146.5
[M+NH4]+ 243.083153 163.3
[M+K]+ 264.012488 148.6
[M+H-H2O]+ 208.046590 141.2
[M+HCOO]- 270.047531 153.8
[M+CH3COO]- 284.063181 180.0
[M+Na-2H]- 246.023996 148.2
[M]+ 225.04878142 145.9
[M]- 225.04987858 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.