CID 192940

17605-27-5

Structural Information

Molecular Formula

C₃H₄N₂O₂S

SMILES

COC1=NNC(=O)S1

InChI

InChI=1S/C3H4N2O2S/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)

InChIKey

LRENRSMVTOWJKZ-UHFFFAOYSA-N

Compound name

5-methoxy-3H-1,3,4-thiadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 131.99934 Da
Monoisotopic Mass: 0.7
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]+	133.00662	120.5
[M+Na]+	154.98856	131.7
[M-H]-	130.99206	121.3
[M+NH4]+	150.03316	141.9
[M+K]+	170.96250	129.9
[M+H-H2O]+	114.99660	114.9
[M+HCOO]-	176.99754	139.2
[M+CH3COO]-	191.01319	164.3
[M+Na-2H]-	152.97401	124.5
[M]+	131.99879	122.9
[M]-	131.99989	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe