CID 15961581

75202-36-7

Structural Information

Molecular Formula

C₆H₉N₃O₃S

SMILES

C1COCCN1C2=NS(=O)NC2=O

InChI

InChI=1S/C6H9N3O3S/c10-6-5(7-13(11)8-6)9-1-3-12-4-2-9/h1-4H2,(H,8,10)

InChIKey

AAYSTAZTUCBWCK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.03647 Da
Monoisotopic Mass: -1.3
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]+	204.04375	140.9
[M+Na]+	226.02569	149.3
[M-H]-	202.02919	143.1
[M+NH4]+	221.07029	156.3
[M+K]+	241.99963	147.6
[M+H-H2O]+	186.03373	133.9
[M+HCOO]-	248.03467	152.8
[M+CH3COO]-	262.05032	152.6
[M+Na-2H]-	224.01114	141.8
[M]+	203.03592	138.5
[M]-	203.03702	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe