CID 27662

L-dihydrophenylalanine

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

C1C=CC(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h2-5,7-8H,1,6,10H2,(H,11,12)

InChIKey

IZKPUUZAGQLNCR-UHFFFAOYSA-N

Compound name

2-amino-3-cyclohexa-2,5-dien-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 244
Patents: 167.09464 Da
Monoisotopic Mass: -1.3
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]+	168.10192	136.6
[M+Na]+	190.08386	145.9
[M+NH4]+	185.12846	144.1
[M+K]+	206.05780	141.5
[M-H]-	166.08736	137.7
[M+Na-2H]-	188.06931	141.3
[M]+	167.09409	137.8
[M]-	167.09519	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe