CID 4478048

N-hydroxyl-l-tyrosine

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

C1=CC(=CC=C1CC(C(=O)O)NO)O

InChI

InChI=1S/C9H11NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,8,10-11,14H,5H2,(H,12,13)

InChIKey

CNIUEVQJABPUIJ-UHFFFAOYSA-N

Compound name

2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 1226
Patents: 197.0688 Da
Monoisotopic Mass: -1.7
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]+	198.07608	140.7
[M+Na]+	220.05802	146.3
[M-H]-	196.06152	140.3
[M+NH4]+	215.10262	157.3
[M+K]+	236.03196	144.2
[M+H-H2O]+	180.06606	134.9
[M+HCOO]-	242.06700	160.7
[M+CH3COO]-	256.08265	179.1
[M+Na-2H]-	218.04347	144.4
[M]+	197.06825	138.3
[M]-	197.06935	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe