CID 45080612

313963-93-8

Structural Information

Molecular Formula

C₃H₄N₄O₄S

SMILES

C1(=NNC(=N1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)

InChIKey

PUVBGNSTTRODNJ-UHFFFAOYSA-N

Compound name

5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 191.99533 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]+	193.00261	136.9
[M+Na]+	214.98455	143.7
[M+NH4]+	210.02915	140.5
[M+K]+	230.95849	143.4
[M-H]-	190.98805	132.5
[M+Na-2H]-	212.97000	137.9
[M]+	191.99478	136.3
[M]-	191.99588	136.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.