CID 544354

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

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

C1COCCN1C2=NSNC2=O

InChI

InChI=1S/C6H9N3O2S/c10-6-5(7-12-8-6)9-1-3-11-4-2-9/h1-4H2,(H,8,10)

InChIKey

DWUZILHYAJBUBR-UHFFFAOYSA-N

Compound name

4-morpholin-4-yl-1,2,5-thiadiazol-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 51
Patents: 187.04155 Da
Monoisotopic Mass: -0.5
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]+	188.048826	136.1
[M+Na]+	210.030768	144.6
[M-H]-	186.034274	138.3
[M+NH4]+	205.075373	152.1
[M+K]+	226.004708	142.8
[M+H-H2O]+	170.038810	128.8
[M+HCOO]-	232.039751	149.2
[M+CH3COO]-	246.055401	148.2
[M+Na-2H]-	208.016216	138.6
[M]+	187.04100142	134.0
[M]-	187.04209858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe