CID 79960569

1,4-dithiane-2-carbothioamide

Structural Information

Molecular Formula
C5H9NS3
SMILES
C1CSC(CS1)C(=S)N
InChI
InChI=1S/C5H9NS3/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2,(H2,6,7)
InChIKey
ZNEOCLXOHFBGEQ-UHFFFAOYSA-N
Compound name
1,4-dithiane-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.98972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.99700 132.1
[M+Na]+ 201.97894 137.2
[M-H]- 177.98244 133.1
[M+NH4]+ 197.02354 151.1
[M+K]+ 217.95288 131.6
[M+H-H2O]+ 161.98698 126.5
[M+HCOO]- 223.98792 135.5
[M+CH3COO]- 238.00357 179.5
[M+Na-2H]- 199.96439 131.0
[M]+ 178.98917 125.8
[M]- 178.99027 125.8
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.