CID 14187216

3-bromo-l-tyrosine

Structural Information

Molecular Formula

C₉H₁₀BrNO₃

SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)Br)O

InChI

InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1

InChIKey

HGWOSUKIFQMEIF-ZETCQYMHSA-N

Compound name

(2S)-2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 369
Patents: 258.9844 Da
Monoisotopic Mass: -1.7
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]+	259.99168	147.4
[M+Na]+	281.97362	148.2
[M+NH4]+	277.01822	150.4
[M+K]+	297.94756	150.5
[M-H]-	257.97712	146.3
[M+Na-2H]-	279.95907	148.4
[M]+	258.98385	145.7
[M]-	258.98495	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe