CID 39870109

4-[(2-hydroxyethyl)(methyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H13NO5S
SMILES
CN(CCO)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H13NO5S/c1-11(6-7-12)17(15,16)9-4-2-8(3-5-9)10(13)14/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKey
ILBYWGZPGJHUOQ-UHFFFAOYSA-N
Compound name
4-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05145 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.058726 153.4
[M+Na]+ 282.040668 159.8
[M-H]- 258.044174 155.8
[M+NH4]+ 277.085273 169.2
[M+K]+ 298.014608 157.9
[M+H-H2O]+ 242.048710 147.2
[M+HCOO]- 304.049651 169.7
[M+CH3COO]- 318.065301 191.7
[M+Na-2H]- 280.026116 156.2
[M]+ 259.05090142 156.8
[M]- 259.05199858 156.8
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.