CID 100138

N-(p-hydroxyphenyl)-l-glutamine

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)O

InChI

InChI=1S/C11H14N2O4/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)

InChIKey

LOTUEIYQWILGCV-UHFFFAOYSA-N

Compound name

2-amino-5-(4-hydroxyanilino)-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 238.09535 Da
Monoisotopic Mass: -2.6
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]+	239.102626	152.8
[M+Na]+	261.084568	157.1
[M-H]-	237.088074	153.0
[M+NH4]+	256.129173	167.7
[M+K]+	277.058508	155.3
[M+H-H2O]+	221.092610	146.0
[M+HCOO]-	283.093551	173.3
[M+CH3COO]-	297.109201	191.9
[M+Na-2H]-	259.070016	153.9
[M]+	238.09480142	149.7
[M]-	238.09589858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe