CID 14216893

2-(6-amino-9h-purin-9-yl)propanoic acid

Structural Information

Molecular Formula

C₈H₉N₅O₂

SMILES

CC(C(=O)O)N1C=NC2=C(N=CN=C21)N

InChI

InChI=1S/C8H9N5O2/c1-4(8(14)15)13-3-12-5-6(9)10-2-11-7(5)13/h2-4H,1H3,(H,14,15)(H2,9,10,11)

InChIKey

DNFSDVZNZNHNAB-UHFFFAOYSA-N

Compound name

2-(6-aminopurin-9-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 207.07562 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]+	208.08290	141.8
[M+Na]+	230.06484	152.9
[M+NH4]+	225.10944	147.1
[M+K]+	246.03878	151.8
[M-H]-	206.06834	140.3
[M+Na-2H]-	228.05029	145.9
[M]+	207.07507	142.5
[M]-	207.07617	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe