CID 757400

568555-21-5

Structural Information

Molecular Formula

C₁₀H₁₃NO₅S

SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C10H13NO5S/c1-2-16-8-3-5-9(6-4-8)17(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)

InChIKey

XJIQFMHJWKKCRK-UHFFFAOYSA-N

Compound name

2-[(4-ethoxyphenyl)sulfonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 259.05145 Da
Monoisotopic Mass: 0.8
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]+	260.05873	153.6
[M+Na]+	282.04067	160.3
[M-H]-	258.04417	155.9
[M+NH4]+	277.08527	169.5
[M+K]+	298.01461	157.8
[M+H-H2O]+	242.04871	147.3
[M+HCOO]-	304.04965	170.9
[M+CH3COO]-	318.06530	190.8
[M+Na-2H]-	280.02612	157.4
[M]+	259.05090	157.5
[M]-	259.05200	157.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.