CID 6434086

30687-18-4

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC(CO)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C12H15NO2/c1-10(9-14)13-12(15)8-7-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3,(H,13,15)/b8-7+

InChIKey

FCIUATHUXGLRRQ-BQYQJAHWSA-N

Compound name

(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 205.11028 Da
Monoisotopic Mass: 1.3
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]+	206.11756	148.1
[M+Na]+	228.09950	158.1
[M+NH4]+	223.14410	155.0
[M+K]+	244.07344	152.4
[M-H]-	204.10300	149.1
[M+Na-2H]-	226.08495	153.2
[M]+	205.10973	149.4
[M]-	205.11083	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe