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 162.5
[M+Na]+ 319.04015 165.2
[M-H]- 295.04365 158.9
[M+NH4]+ 314.08475 176.0
[M+K]+ 335.01409 155.2
[M+H-H2O]+ 279.04819 154.6
[M+HCOO]- 341.04913 160.0
[M+CH3COO]- 355.06478 205.5
[M+Na-2H]- 317.02560 159.7
[M]+ 296.05038 159.6
[M]- 296.05148 159.6
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

patents stripe