CID 66900

103-92-4

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1=CC(=CC=C1N)NC(=O)C(=O)O

InChI

InChI=1S/C8H8N2O3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)

InChIKey

HVAINFDIRWAPQM-UHFFFAOYSA-N

Compound name

2-(4-aminoanilino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 264
Patents: 180.0535 Da
Monoisotopic Mass: 0.4
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]+	181.060776	136.0
[M+Na]+	203.042718	142.6
[M-H]-	179.046224	138.3
[M+NH4]+	198.087323	154.3
[M+K]+	219.016658	141.1
[M+H-H2O]+	163.050760	129.9
[M+HCOO]-	225.051701	159.9
[M+CH3COO]-	239.067351	181.1
[M+Na-2H]-	201.028166	140.5
[M]+	180.05295142	132.9
[M]-	180.05404858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe