CID 56832319

887623-92-9

Structural Information

Molecular Formula

C₆H₈ClN₃OS

SMILES

C1COCCN1C2=NSC(=N2)Cl

InChI

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

InChIKey

VUKCIZRKDVPTOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 205.00766 Da
Monoisotopic Mass: 1.8
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]+	206.01494	138.9
[M+Na]+	227.99688	148.1
[M-H]-	204.00038	142.2
[M+NH4]+	223.04148	155.6
[M+K]+	243.97082	146.0
[M+H-H2O]+	188.00492	131.6
[M+HCOO]-	250.00586	148.1
[M+CH3COO]-	264.02151	151.3
[M+Na-2H]-	225.98233	141.1
[M]+	205.00711	139.4
[M]-	205.00821	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe