CID 11073952

N-[2-(hydroxymethyl)phenyl]prop-2-enamide

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C=CC(=O)NC1=CC=CC=C1CO

InChI

InChI=1S/C10H11NO2/c1-2-10(13)11-9-6-4-3-5-8(9)7-12/h2-6,12H,1,7H2,(H,11,13)

InChIKey

DRSBJVXETKOWBV-UHFFFAOYSA-N

Compound name

N-[2-(hydroxymethyl)phenyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 177.07898 Da
Monoisotopic Mass: 1.4
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]+	178.08626	138.4
[M+Na]+	200.06820	149.5
[M+NH4]+	195.11280	145.8
[M+K]+	216.04214	143.7
[M-H]-	176.07170	139.8
[M+Na-2H]-	198.05365	144.2
[M]+	177.07843	140.1
[M]-	177.07953	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe