CID 130511500

1-methyl-5-sulfamoyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H7N3O4S
SMILES
CN1C(=C(C=N1)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C5H7N3O4S/c1-8-4(13(6,11)12)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)(H2,6,11,12)
InChIKey
RAAKEGYURSEFHE-UHFFFAOYSA-N
Compound name
1-methyl-5-sulfamoylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.01573 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02301 139.8
[M+Na]+ 228.00495 149.8
[M-H]- 204.00845 140.3
[M+NH4]+ 223.04955 157.3
[M+K]+ 243.97889 147.7
[M+H-H2O]+ 188.01299 134.1
[M+HCOO]- 250.01393 156.1
[M+CH3COO]- 264.02958 179.7
[M+Na-2H]- 225.99040 141.8
[M]+ 205.01518 141.6
[M]- 205.01628 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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