CID 6057

L-tyrosine

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

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

InChI

InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

InChIKey

OUYCCCASQSFEME-QMMMGPOBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 110399
References: 85746
Patents: 181.0739 Da
Monoisotopic Mass: -2.3
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]+	182.08118	138.1
[M+Na]+	204.06312	144.3
[M-H]-	180.06662	138.7
[M+NH4]+	199.10772	156.0
[M+K]+	220.03706	142.2
[M+H-H2O]+	164.07116	132.5
[M+HCOO]-	226.07210	158.9
[M+CH3COO]-	240.08775	178.7
[M+Na-2H]-	202.04857	141.2
[M]+	181.07335	135.2
[M]-	181.07445	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe