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]+ 260.05873 153.4
[M+Na]+ 282.04067 159.8
[M-H]- 258.04417 155.8
[M+NH4]+ 277.08527 169.2
[M+K]+ 298.01461 157.9
[M+H-H2O]+ 242.04871 147.2
[M+HCOO]- 304.04965 169.7
[M+CH3COO]- 318.06530 191.7
[M+Na-2H]- 280.02612 156.2
[M]+ 259.05090 156.8
[M]- 259.05200 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.