CID 6434359

43196-10-7

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

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

InChI

InChI=1S/C11H12ClNO2/c12-10-4-2-1-3-9(10)5-6-11(15)13-7-8-14/h1-6,14H,7-8H2,(H,13,15)/b6-5+

InChIKey

TXPLFZFLALBOAN-AATRIKPKSA-N

Compound name

(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 225.05565 Da
Monoisotopic Mass: 1.6
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]+	226.06293	148.3
[M+Na]+	248.04487	155.7
[M-H]-	224.04837	150.4
[M+NH4]+	243.08947	166.5
[M+K]+	264.01881	150.6
[M+H-H2O]+	208.05291	143.2
[M+HCOO]-	270.05385	167.1
[M+CH3COO]-	284.06950	186.4
[M+Na-2H]-	246.03032	152.8
[M]+	225.05510	149.4
[M]-	225.05620	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe