CID 130763

114811-46-0

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C(C(=O)O)N)I

InChI

InChI=1S/C8H8INO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)

InChIKey

SHUIEJDVWZHDTI-UHFFFAOYSA-N

Compound name

2-amino-2-(4-iodophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 276.96 Da
Monoisotopic Mass: -1.0
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]+	277.96728	149.5
[M+Na]+	299.94922	149.2
[M-H]-	275.95272	144.6
[M+NH4]+	294.99382	163.5
[M+K]+	315.92316	153.1
[M+H-H2O]+	259.95726	140.1
[M+HCOO]-	321.95820	166.4
[M+CH3COO]-	335.97385	187.5
[M+Na-2H]-	297.93467	140.6
[M]+	276.95945	144.1
[M]-	276.96055	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.