CID 13224265

75176-85-1

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C8H10N2O2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,9-10H2,(H,11,12)

InChIKey

OOASNXLDNAKYSG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 166.07423 Da
Monoisotopic Mass: -2.4
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]+	167.08151	134.5
[M+Na]+	189.06345	143.7
[M+NH4]+	184.10805	141.5
[M+K]+	205.03739	140.2
[M-H]-	165.06695	135.9
[M+Na-2H]-	187.04890	139.3
[M]+	166.07368	135.7
[M]-	166.07478	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe