CID 199028

3-carboxytyrosine

Structural Information

Molecular Formula

C₁₀H₁₁NO₅

SMILES

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

InChI

InChI=1S/C10H11NO5/c11-7(10(15)16)4-5-1-2-8(12)6(3-5)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1

InChIKey

AZXBADPWXOWMKQ-ZETCQYMHSA-N

Compound name

5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 300
Patents: 225.06372 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]+	226.07100	147.8
[M+Na]+	248.05294	155.7
[M+NH4]+	243.09754	152.2
[M+K]+	264.02688	154.4
[M-H]-	224.05644	146.0
[M+Na-2H]-	246.03839	149.5
[M]+	225.06317	147.8
[M]-	225.06427	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe