CID 20509679

2-(2,3-diaminophenyl)acetic acid

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

FIYNNIMRGIRYEO-UHFFFAOYSA-N

Compound name

2-(2,3-diaminophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 166.07423 Da
Monoisotopic Mass: 0.0
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]+	167.08151	134.0
[M+Na]+	189.06345	143.9
[M+NH4]+	184.10805	141.1
[M+K]+	205.03739	139.8
[M-H]-	165.06695	135.6
[M+Na-2H]-	187.04890	138.9
[M]+	166.07368	135.4
[M]-	166.07478	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe