CID 2759319

56409-41-7

Structural Information

Molecular Formula

C₃H₄N₂OS₂

SMILES

CSC1=NC(=O)NS1

InChI

InChI=1S/C3H4N2OS2/c1-7-3-4-2(6)5-8-3/h1H3,(H,5,6)

InChIKey

UOGIBRBPAGZREF-UHFFFAOYSA-N

Compound name

5-methylsulfanyl-1,2,4-thiadiazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 147.9765 Da
Monoisotopic Mass: 0.9
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]+	148.983776	123.1
[M+Na]+	170.965718	134.7
[M-H]-	146.969224	123.8
[M+NH4]+	166.010323	144.1
[M+K]+	186.939658	131.0
[M+H-H2O]+	130.973760	118.0
[M+HCOO]-	192.974701	135.8
[M+CH3COO]-	206.990351	167.5
[M+Na-2H]-	168.951166	124.3
[M]+	147.97595142	125.0
[M]-	147.97704858	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe