CID 2492687

786728-89-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₅S

SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C10H13NO5S/c1-11(2)17(14,15)9-6-7(10(12)13)4-5-8(9)16-3/h4-6H,1-3H3,(H,12,13)

InChIKey

MQLMCRQJDMMJSS-UHFFFAOYSA-N

Compound name

3-(dimethylsulfamoyl)-4-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 259.05145 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.058726	152.2
[M+Na]+	282.040668	159.9
[M-H]-	258.044174	156.4
[M+NH4]+	277.085273	169.1
[M+K]+	298.014608	159.0
[M+H-H2O]+	242.048710	146.1
[M+HCOO]-	304.049651	170.0
[M+CH3COO]-	318.065301	195.4
[M+Na-2H]-	280.026116	154.8
[M]+	259.05090142	157.9
[M]-	259.05199858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.