CID 3075398

178880-04-1

Structural Information

Molecular Formula

C₄H₅N₃O₄S

SMILES

C1=NNC(=C1C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C4H5N3O4S/c5-12(10,11)3-2(4(8)9)1-6-7-3/h1H,(H,6,7)(H,8,9)(H2,5,10,11)

InChIKey

FTYKACFNSGUTDJ-UHFFFAOYSA-N

Compound name

5-sulfamoyl-1H-pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 191.00008 Da
Monoisotopic Mass: -1.4
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]+	192.00736	136.1
[M+Na]+	213.98930	145.3
[M-H]-	189.99280	134.9
[M+NH4]+	209.03390	153.1
[M+K]+	229.96324	142.4
[M+H-H2O]+	173.99734	130.4
[M+HCOO]-	235.99828	151.3
[M+CH3COO]-	250.01393	173.1
[M+Na-2H]-	211.97475	138.7
[M]+	190.99953	135.3
[M]-	191.00063	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe