CID 22326237

1803560-72-6

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

C1=CC2=C(C(=CN2)CC(C(=O)O)N)N=C1

InChI

InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)

InChIKey

FICCYWIDRZLXIS-UHFFFAOYSA-N

Compound name

2-amino-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 205.08513 Da
Monoisotopic Mass: -2.3
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]+	206.092406	142.9
[M+Na]+	228.074348	151.0
[M-H]-	204.077854	142.3
[M+NH4]+	223.118953	160.1
[M+K]+	244.048288	147.2
[M+H-H2O]+	188.082390	136.0
[M+HCOO]-	250.083331	162.7
[M+CH3COO]-	264.098981	182.3
[M+Na-2H]-	226.059796	147.7
[M]+	205.08458142	141.1
[M]-	205.08567858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe