CID 146240

N-carbamoyl-tyrosine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄

SMILES

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

InChI

InChI=1S/C10H12N2O4/c11-10(16)12-8(9(14)15)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5H2,(H,14,15)(H3,11,12,16)/t8-/m0/s1

InChIKey

PNLKYZVGQWCHBH-QMMMGPOBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 224.07971 Da
Monoisotopic Mass: -0.8
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]+	225.08699	149.0
[M+Na]+	247.06893	156.2
[M+NH4]+	242.11353	153.7
[M+K]+	263.04287	154.1
[M-H]-	223.07243	148.3
[M+Na-2H]-	245.05438	151.6
[M]+	224.07916	149.1
[M]-	224.08026	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe