CID 2754718

32118-35-7

Structural Information

Molecular Formula
C10H20N2S4
SMILES
CSC(=S)NCCCCCCNC(=S)SC
InChI
InChI=1S/C10H20N2S4/c1-15-9(13)11-7-5-3-4-6-8-12-10(14)16-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKey
KXZRRVOMEZYCFQ-UHFFFAOYSA-N
Compound name
methyl N-[6-(methylsulfanylcarbothioylamino)hexyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05093 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05821 159.2
[M+Na]+ 319.04015 163.2
[M+NH4]+ 314.08475 166.3
[M+K]+ 335.01409 152.2
[M-H]- 295.04365 159.6
[M+Na-2H]- 317.02560 158.3
[M]+ 296.05038 161.2
[M]- 296.05148 161.2
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.