CID 6434097

Brn 2258368

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NCCO

InChI

InChI=1S/C12H15NO2/c1-10-2-4-11(5-3-10)6-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-6+

InChIKey

DXLMBMLNCBBQGB-VOTSOKGWSA-N

Compound name

(E)-N-(2-hydroxyethyl)-3-(4-methylphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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	146.7
[M+Na]+	228.09950	152.9
[M-H]-	204.10300	148.8
[M+NH4]+	223.14410	164.8
[M+K]+	244.07344	149.6
[M+H-H2O]+	188.10754	140.5
[M+HCOO]-	250.10848	169.7
[M+CH3COO]-	264.12413	185.6
[M+Na-2H]-	226.08495	151.1
[M]+	205.10973	146.1
[M]-	205.11083	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.