CID 12927269

Diethoxy-1,2,5-thiadiazol-1-one

Structural Information

Molecular Formula

C₆H₁₀N₂O₃S

SMILES

CCOC1=NS(=O)N=C1OCC

InChI

InChI=1S/C6H10N2O3S/c1-3-10-5-6(11-4-2)8-12(9)7-5/h3-4H2,1-2H3

InChIKey

WWEIMDRGLPALKY-UHFFFAOYSA-N

Compound name

3,4-diethoxy-1,2,5-thiadiazole 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 190.04121 Da
Monoisotopic Mass: 0.1
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]+	191.04849	136.4
[M+Na]+	213.03043	147.5
[M-H]-	189.03393	138.5
[M+NH4]+	208.07503	156.5
[M+K]+	229.00437	146.4
[M+H-H2O]+	173.03847	130.2
[M+HCOO]-	235.03941	155.8
[M+CH3COO]-	249.05506	177.8
[M+Na-2H]-	211.01588	138.8
[M]+	190.04066	143.4
[M]-	190.04176	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe