CID 108055

Alpha-methyl-dl-phenylalanine

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(CC1=CC=CC=C1)(C(=O)O)N

InChI

InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)

InChIKey

HYOWVAAEQCNGLE-UHFFFAOYSA-N

Compound name

2-amino-2-methyl-3-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 51
References: 5242
Patents: 179.09464 Da
Monoisotopic Mass: -1.2
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]+	180.10192	139.2
[M+Na]+	202.08386	149.3
[M+NH4]+	197.12846	146.5
[M+K]+	218.05780	145.0
[M-H]-	178.08736	140.0
[M+Na-2H]-	200.06931	144.9
[M]+	179.09409	140.7
[M]-	179.09519	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe