CID 156596630

Ddg4lr2vp8

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₄

SMILES

CC(=O)N[C@H](CO)C(=O)NCC1=CC=C(C=C1)O

InChI

InChI=1S/C12H16N2O4/c1-8(16)14-11(7-15)12(18)13-6-9-2-4-10(17)5-3-9/h2-5,11,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t11-/m1/s1

InChIKey

QWRCHVAOLQXQLQ-LLVKDONJSA-N

Compound name

(2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 252.11101 Da
Monoisotopic Mass: -0.6
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]+	253.118286	157.1
[M+Na]+	275.100228	161.1
[M-H]-	251.103734	157.7
[M+NH4]+	270.144833	171.8
[M+K]+	291.074168	159.4
[M+H-H2O]+	235.108270	150.2
[M+HCOO]-	297.109211	177.9
[M+CH3COO]-	311.124861	194.7
[M+Na-2H]-	273.085676	158.9
[M]+	252.11046142	155.4
[M]-	252.11155858	155.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.