CID 50945

Brn 2984644

Structural Information

Molecular Formula

C₁₀H₁₃NO₅S

SMILES

CCOC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C10H13NO5S/c1-3-16-7-4-5-9(17(11,13)14)8(6-7)10(12)15-2/h4-6H,3H2,1-2H3,(H2,11,13,14)

InChIKey

YHQYLCNKOVPIAJ-UHFFFAOYSA-N

Compound name

methyl 5-ethoxy-2-sulfamoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.05145 Da
Monoisotopic Mass: 1.3
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	153.5
[M+Na]+	282.040668	161.6
[M-H]-	258.044174	157.1
[M+NH4]+	277.085273	170.3
[M+K]+	298.014608	159.6
[M+H-H2O]+	242.048710	147.2
[M+HCOO]-	304.049651	171.7
[M+CH3COO]-	318.065301	193.2
[M+Na-2H]-	280.026116	156.0
[M]+	259.05090142	158.6
[M]-	259.05199858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.