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: 9
Patents: 189.01274 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.020016	137.8
[M+Na]+	212.001958	148.2
[M-H]-	188.005464	141.2
[M+NH4]+	207.046563	158.6
[M+K]+	227.975898	145.3
[M+H-H2O]+	172.010000	130.7
[M+HCOO]-	234.010941	150.0
[M+CH3COO]-	248.026591	151.1
[M+Na-2H]-	209.987406	137.5
[M]+	189.01219142	138.9
[M]-	189.01328858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe