CID 9838148

14593-25-0

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

CC(=O)OC1=CC=C(C=C1)C(CNC)Cl

InChI

InChI=1S/C11H14ClNO2/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2/h3-6,11,13H,7H2,1-2H3

InChIKey

VZCQEZNQVVYTJC-UHFFFAOYSA-N

Compound name

[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 44
References: 74
Patents: 227.0713 Da
Monoisotopic Mass: 1.7
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]+	228.07858	148.9
[M+Na]+	250.06052	156.1
[M-H]-	226.06402	152.5
[M+NH4]+	245.10512	167.7
[M+K]+	266.03446	153.0
[M+H-H2O]+	210.06856	143.6
[M+HCOO]-	272.06950	168.0
[M+CH3COO]-	286.08515	191.3
[M+Na-2H]-	248.04597	152.7
[M]+	227.07075	152.1
[M]-	227.07185	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe