CID 12816287

84353-00-4

Structural Information

Molecular Formula
C5H6N2OS
SMILES
C1CC1C2=NNC(=O)S2
InChI
InChI=1S/C5H6N2OS/c8-5-7-6-4(9-5)3-1-2-3/h3H,1-2H2,(H,7,8)
InChIKey
KEPDGEBJDUSUQZ-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.02008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 126.3
[M+Na]+ 165.00930 138.4
[M-H]- 141.01280 130.8
[M+NH4]+ 160.05390 142.3
[M+K]+ 180.98324 134.3
[M+H-H2O]+ 125.01734 119.8
[M+HCOO]- 187.01828 144.7
[M+CH3COO]- 201.03393 140.1
[M+Na-2H]- 162.99475 129.5
[M]+ 142.01953 129.0
[M]- 142.02063 129.0
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.