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]+ 143.027356 126.3
[M+Na]+ 165.009298 138.4
[M-H]- 141.012804 130.8
[M+NH4]+ 160.053903 142.3
[M+K]+ 180.983238 134.3
[M+H-H2O]+ 125.017340 119.8
[M+HCOO]- 187.018281 144.7
[M+CH3COO]- 201.033931 140.1
[M+Na-2H]- 162.994746 129.5
[M]+ 142.01953142 129.0
[M]- 142.02062858 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.