CID 2512597

790270-98-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₅S

SMILES

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

InChI

InChI=1S/C10H11NO5S/c1-7(12)8-3-2-4-9(5-8)17(15,16)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)

InChIKey

HINKTCFJKCXJFA-UHFFFAOYSA-N

Compound name

2-[(3-acetylphenyl)sulfonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.0358 Da
Monoisotopic Mass: 0.2
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]+	258.04308	154.2
[M+Na]+	280.02502	162.4
[M+NH4]+	275.06962	159.1
[M+K]+	295.99896	158.2
[M-H]-	256.02852	152.7
[M+Na-2H]-	278.01047	157.3
[M]+	257.03525	155.0
[M]-	257.03635	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe