CID 23039970

5-sulfamoyl-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C4H4N2O4S2
SMILES
C1=NC(=C(S1)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C4H4N2O4S2/c5-12(9,10)4-2(3(7)8)6-1-11-4/h1H,(H,7,8)(H2,5,9,10)
InChIKey
MOHLHJGZEMOMJX-UHFFFAOYSA-N
Compound name
5-sulfamoyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.96124 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.96852 140.0
[M+Na]+ 230.95046 149.3
[M-H]- 206.95396 141.0
[M+NH4]+ 225.99506 158.4
[M+K]+ 246.92440 145.8
[M+H-H2O]+ 190.95850 134.8
[M+HCOO]- 252.95944 152.1
[M+CH3COO]- 266.97509 177.6
[M+Na-2H]- 228.93591 141.2
[M]+ 207.96069 141.4
[M]- 207.96179 141.4
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

patents stripe