CID 3024591

96543-07-6

Structural Information

Molecular Formula

C₆H₉N₃O₄S

SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N

InChI

InChI=1S/C6H9N3O4S/c1-2-13-6(10)4-3-8-9-5(4)14(7,11)12/h3H,2H2,1H3,(H,8,9)(H2,7,11,12)

InChIKey

DRGFACPVELPILD-UHFFFAOYSA-N

Compound name

ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.03137 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]+	220.03865	144.6
[M+Na]+	242.02059	153.5
[M-H]-	218.02409	144.6
[M+NH4]+	237.06519	161.4
[M+K]+	257.99453	151.1
[M+H-H2O]+	202.02863	138.4
[M+HCOO]-	264.02957	160.7
[M+CH3COO]-	278.04522	180.7
[M+Na-2H]-	240.00604	146.8
[M]+	219.03082	146.4
[M]-	219.03192	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe