CID 16227167

129526-60-9

Structural Information

Molecular Formula

C₄H₆N₂OS₂

SMILES

CSCC1=NNC(=S)O1

InChI

InChI=1S/C4H6N2OS2/c1-9-2-3-5-6-4(8)7-3/h2H2,1H3,(H,6,8)

InChIKey

XSBNZQOVLWBDMP-UHFFFAOYSA-N

Compound name

5-(methylsulfanylmethyl)-3H-1,3,4-oxadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.99216 Da
Monoisotopic Mass: 1.1
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]+	162.99944	131.2
[M+Na]+	184.98138	142.1
[M+NH4]+	180.02598	139.4
[M+K]+	200.95532	135.1
[M-H]-	160.98488	132.7
[M+Na-2H]-	182.96683	133.9
[M]+	161.99161	133.9
[M]-	161.99271	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.