CID 65268679

173052-98-7

Structural Information

Molecular Formula
C6H8ClN3S
SMILES
C1CCN(C1)C2=NSC(=N2)Cl
InChI
InChI=1S/C6H8ClN3S/c7-5-8-6(9-11-5)10-3-1-2-4-10/h1-4H2
InChIKey
SYRPFNQBHWCRAQ-UHFFFAOYSA-N
Compound name
5-chloro-3-pyrrolidin-1-yl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

189.01274 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02002 137.8
[M+Na]+ 212.00196 148.2
[M-H]- 188.00546 141.2
[M+NH4]+ 207.04656 158.6
[M+K]+ 227.97590 145.3
[M+H-H2O]+ 172.01000 130.7
[M+HCOO]- 234.01094 150.0
[M+CH3COO]- 248.02659 151.1
[M+Na-2H]- 209.98741 137.5
[M]+ 189.01219 138.9
[M]- 189.01329 138.9
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.