CID 44426092

Chembl228956

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC(=O)N/C=C/C1=CC=CC=C1O

InChI

InChI=1S/C10H11NO2/c1-8(12)11-7-6-9-4-2-3-5-10(9)13/h2-7,13H,1H3,(H,11,12)/b7-6+

InChIKey

WRFHUONTGGIWQE-VOTSOKGWSA-N

Compound name

N-[(E)-2-(2-hydroxyphenyl)ethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 177.07898 Da
Monoisotopic Mass: 1.2
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]+	178.086256	137.5
[M+Na]+	200.068198	144.5
[M-H]-	176.071704	139.9
[M+NH4]+	195.112803	156.8
[M+K]+	216.042138	141.7
[M+H-H2O]+	160.076240	131.7
[M+HCOO]-	222.077181	161.1
[M+CH3COO]-	236.092831	179.5
[M+Na-2H]-	198.053646	143.0
[M]+	177.07843142	136.1
[M]-	177.07952858	136.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.