CID 7188

Dicyclopentamethylenethiuram disulfide

Structural Information

Molecular Formula
C12H20N2S4
SMILES
C1CCN(CC1)C(=S)SSC(=S)N2CCCCC2
InChI
InChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2
InChIKey
KNBRWWCHBRQLNY-UHFFFAOYSA-N
Compound name
piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

3090
Patents

320.05093 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05821 166.3
[M+Na]+ 343.04015 168.9
[M-H]- 319.04365 165.5
[M+NH4]+ 338.08475 177.5
[M+K]+ 359.01409 160.4
[M+H-H2O]+ 303.04819 159.9
[M+HCOO]- 365.04913 157.3
[M+CH3COO]- 379.06478 171.6
[M+Na-2H]- 341.02560 162.6
[M]+ 320.05038 156.1
[M]- 320.05148 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe