CID 130707358

2309431-30-7

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

C1=CC(=NC=C1C[C@@H](C(=O)O)N)C#N

InChI

InChI=1S/C9H9N3O2/c10-4-7-2-1-6(5-12-7)3-8(11)9(13)14/h1-2,5,8H,3,11H2,(H,13,14)/t8-/m0/s1

InChIKey

RJKGEVSAJMPOOO-QMMMGPOBSA-N

Compound name

(2S)-2-amino-3-(6-cyanopyridin-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.06947 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]+	192.07675	143.7
[M+Na]+	214.05869	153.3
[M+NH4]+	209.10329	146.6
[M+K]+	230.03263	146.2
[M-H]-	190.06219	136.6
[M+Na-2H]-	212.04414	145.7
[M]+	191.06892	141.9
[M]-	191.07002	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe