CID 121645

3-chloro-4-morpholino-1,2,5-thiadiazole

Structural Information

Molecular Formula

C₆H₈ClN₃OS

SMILES

C1COCCN1C2=NSN=C2Cl

InChI

InChI=1S/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2

InChIKey

LAUCCQWGVCJGFT-UHFFFAOYSA-N

Compound name

4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 75
Patents: 205.00766 Da
Monoisotopic Mass: 1.4
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]+	206.014936	138.9
[M+Na]+	227.996878	148.1
[M-H]-	204.000384	142.2
[M+NH4]+	223.041483	155.6
[M+K]+	243.970818	146.0
[M+H-H2O]+	188.004920	131.6
[M+HCOO]-	250.005861	148.1
[M+CH3COO]-	264.021511	151.3
[M+Na-2H]-	225.982326	141.1
[M]+	205.00711142	139.4
[M]-	205.00820858	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe