CID 334891

5222-97-9

Structural Information

Molecular Formula
C12H22N2OS4
SMILES
CC(=O)NCCSSCCSC(=S)N1CCCCC1
InChI
InChI=1S/C12H22N2OS4/c1-11(15)13-5-8-18-19-10-9-17-12(16)14-6-3-2-4-7-14/h2-10H2,1H3,(H,13,15)
InChIKey
SCTFUVSGQYIGNR-UHFFFAOYSA-N
Compound name
2-(2-acetamidoethyldisulfanyl)ethyl piperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0615 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06878 171.2
[M+Na]+ 361.05072 173.0
[M-H]- 337.05422 168.6
[M+NH4]+ 356.09532 182.3
[M+K]+ 377.02466 163.8
[M+H-H2O]+ 321.05876 163.9
[M+HCOO]- 383.05970 165.5
[M+CH3COO]- 397.07535 208.0
[M+Na-2H]- 359.03617 168.3
[M]+ 338.06095 166.4
[M]- 338.06205 166.4
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.