CID 25013664

1-[4-(2-aminoethoxy)phenyl]ethan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(=O)C1=CC=C(C=C1)OCCN

InChI

InChI=1S/C10H13NO2/c1-8(12)9-2-4-10(5-3-9)13-7-6-11/h2-5H,6-7,11H2,1H3

InChIKey

ZFCOWLYQBLYESO-UHFFFAOYSA-N

Compound name

1-[4-(2-aminoethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 179.09464 Da
Monoisotopic Mass: 0.8
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]+	180.101916	138.3
[M+Na]+	202.083858	145.4
[M-H]-	178.087364	141.6
[M+NH4]+	197.128463	157.9
[M+K]+	218.057798	143.7
[M+H-H2O]+	162.091900	132.2
[M+HCOO]-	224.092841	162.6
[M+CH3COO]-	238.108491	183.6
[M+Na-2H]-	200.069306	143.3
[M]+	179.09409142	138.7
[M]-	179.09518858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe