CID 2110

Alpha-methyl-m-tyrosine

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)

InChIKey

CAHPJJJZLQXPKS-UHFFFAOYSA-N

Compound name

2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 35
References: 66
Patents: 195.08954 Da
Monoisotopic Mass: -1.6
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]+	196.09682	142.2
[M+Na]+	218.07876	151.6
[M+NH4]+	213.12336	148.5
[M+K]+	234.05270	148.3
[M-H]-	194.08226	141.9
[M+Na-2H]-	216.06421	146.5
[M]+	195.08899	143.1
[M]-	195.09009	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe