CID 139595272

Tdl-so

Structural Information

Molecular Formula
C4H8N2OS2
SMILES
CN1CN(S(=O)C1=S)C
InChI
InChI=1S/C4H8N2OS2/c1-5-3-6(2)9(7)4(5)8/h3H2,1-2H3
InChIKey
HOPKVDKGIOBAEK-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1-oxo-1,2,4-thiadiazolidine-5-thione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

164.00781 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.015086 129.1
[M+Na]+ 186.997028 140.3
[M-H]- 163.000534 130.9
[M+NH4]+ 182.041633 150.4
[M+K]+ 202.970968 137.3
[M+H-H2O]+ 147.005070 124.1
[M+HCOO]- 209.006011 140.1
[M+CH3COO]- 223.021661 175.2
[M+Na-2H]- 184.982476 127.2
[M]+ 164.00726142 130.5
[M]- 164.00835858 130.5
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.