CID 12816296

5-amino-3-methyl-2,3-dihydro-1,3,4-thiadiazol-2-one

Structural Information

Molecular Formula
C3H5N3OS
SMILES
CN1C(=O)SC(=N1)N
InChI
InChI=1S/C3H5N3OS/c1-6-3(7)8-2(4)5-6/h1H3,(H2,4,5)
InChIKey
DRGWKSHHDVBZPR-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.01534 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 120.8
[M+Na]+ 154.00456 132.5
[M-H]- 130.00806 122.8
[M+NH4]+ 149.04916 142.6
[M+K]+ 169.97850 130.5
[M+H-H2O]+ 114.01260 114.9
[M+HCOO]- 176.01354 141.0
[M+CH3COO]- 190.02919 170.1
[M+Na-2H]- 151.99001 124.0
[M]+ 131.01479 122.3
[M]- 131.01589 122.3
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.