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: 89
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	140.8
[M-H]-	165.06695	136.1
[M+NH4]+	184.10805	153.1
[M+K]+	205.03739	138.9
[M+H-H2O]+	149.07149	128.5
[M+HCOO]-	211.07243	157.3
[M+CH3COO]-	225.08808	180.6
[M+Na-2H]-	187.04890	137.8
[M]+	166.07368	129.8
[M]-	166.07478	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe