CID 66857

101-09-7

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

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

InChI

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

InChIKey

RNEUWLIFSPFBQF-UHFFFAOYSA-N

Compound name

2-(3-aminoanilino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
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]+	181.06078	137.0
[M+Na]+	203.04272	146.0
[M+NH4]+	198.08732	143.2
[M+K]+	219.01666	142.8
[M-H]-	179.04622	137.7
[M+Na-2H]-	201.02817	141.6
[M]+	180.05295	137.9
[M]-	180.05405	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe