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

361
Patents

258.9844 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.991676 148.5
[M+Na]+ 281.973618 158.2
[M-H]- 257.977124 151.7
[M+NH4]+ 277.018223 166.9
[M+K]+ 297.947558 146.6
[M+H-H2O]+ 241.981660 147.7
[M+HCOO]- 303.982601 166.5
[M+CH3COO]- 317.998251 190.0
[M+Na-2H]- 279.959066 151.7
[M]+ 258.98385142 164.3
[M]- 258.98494858 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe