CID 197411

2,3-methano-3-tyrosine

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1[C@@H]([C@]1(C(=O)O)N)C2=CC(=CC=C2)O

InChI

InChI=1S/C10H11NO3/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8,12H,5,11H2,(H,13,14)/t8-,10-/m1/s1

InChIKey

QJIGJBFNKLGGML-PSASIEDQSA-N

Compound name

(1R,2R)-1-amino-2-(3-hydroxyphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 193.0739 Da
Monoisotopic Mass: -2.0
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]+	194.08118	142.7
[M+Na]+	216.06312	154.8
[M+NH4]+	211.10772	151.8
[M+K]+	232.03706	150.2
[M-H]-	192.06662	151.7
[M+Na-2H]-	214.04857	152.1
[M]+	193.07335	148.0
[M]-	193.07445	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe