CID 2723935

O-methyl-l-tyrosine

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

InChIKey

GEYBMYRBIABFTA-VIFPVBQESA-N

Compound name

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 9228
Patents: 195.08954 Da
Monoisotopic Mass: -1.1
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	152.2
[M+NH4]+	213.12336	149.0
[M+K]+	234.05270	148.1
[M-H]-	194.08226	143.0
[M+Na-2H]-	216.06421	146.9
[M]+	195.08899	143.5
[M]-	195.09009	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe