CID 68309

N-methyl-l-tyrosine

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CN[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI

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

InChIKey

AXDLCFOOGCNDST-VIFPVBQESA-N

Compound name

(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 5975
Patents: 195.08954 Da
Monoisotopic Mass: -1.9
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	142.6
[M+Na]+	218.07876	152.2
[M+NH4]+	213.12336	149.1
[M+K]+	234.05270	148.2
[M-H]-	194.08226	142.9
[M+Na-2H]-	216.06421	147.0
[M]+	195.08899	143.7
[M]-	195.09009	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe