CID 10329914

92754-62-6

Structural Information

Molecular Formula
C5H9NS3
SMILES
C1CSCCN1C(=S)S
InChI
InChI=1S/C5H9NS3/c7-5(8)6-1-3-9-4-2-6/h1-4H2,(H,7,8)
InChIKey
MTPLIXZKPXHJDE-UHFFFAOYSA-N
Compound name
thiomorpholine-4-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.98972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.99700 131.5
[M+Na]+ 201.97894 137.8
[M-H]- 177.98244 132.2
[M+NH4]+ 197.02354 150.2
[M+K]+ 217.95288 133.1
[M+H-H2O]+ 161.98698 125.9
[M+HCOO]- 223.98792 133.8
[M+CH3COO]- 238.00357 177.5
[M+Na-2H]- 199.96439 130.5
[M]+ 178.98917 127.3
[M]- 178.99027 127.3
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

No patent data available for this compound.