CID 3075389

1-methyl-3-sulfamoylpyrazole-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.