CID 47003239

2-(1,3-dihydro-2-benzofuran-5-sulfonamido)acetic acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₅S

SMILES

C1C2=C(CO1)C=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C10H11NO5S/c12-10(13)4-11-17(14,15)9-2-1-7-5-16-6-8(7)3-9/h1-3,11H,4-6H2,(H,12,13)

InChIKey

HSFRMYSRFFROKC-UHFFFAOYSA-N

Compound name

2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.0358 Da
Monoisotopic Mass: -0.3
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]+	258.043076	151.9
[M+Na]+	280.025018	159.3
[M-H]-	256.028524	155.8
[M+NH4]+	275.069623	169.5
[M+K]+	295.998958	157.9
[M+H-H2O]+	240.033060	147.2
[M+HCOO]-	302.034001	167.9
[M+CH3COO]-	316.049651	188.8
[M+Na-2H]-	278.010466	157.2
[M]+	257.03525142	155.1
[M]-	257.03634858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.