CID 129965916

2243503-30-0

Structural Information

Molecular Formula

C₈H₈Cl₂N₂O₂

SMILES

C1=C(C=C(N=C1Cl)Cl)CC(C(=O)O)N

InChI

InChI=1S/C8H8Cl2N2O2/c9-6-2-4(3-7(10)12-6)1-5(11)8(13)14/h2-3,5H,1,11H2,(H,13,14)

InChIKey

HIUMJVSCVUFUFW-UHFFFAOYSA-N

Compound name

2-amino-3-(2,6-dichloropyridin-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 233.99628 Da
Monoisotopic Mass: -0.6
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]+	235.00356	145.0
[M+Na]+	256.98550	157.2
[M+NH4]+	252.03010	152.1
[M+K]+	272.95944	152.0
[M-H]-	232.98900	145.3
[M+Na-2H]-	254.97095	150.0
[M]+	233.99573	147.1
[M]-	233.99683	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe