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: 32
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]+	180.10192	138.6
[M+Na]+	202.08386	149.9
[M+NH4]+	197.12846	146.5
[M+K]+	218.05780	144.2
[M-H]-	178.08736	140.6
[M+Na-2H]-	200.06931	144.7
[M]+	179.09409	140.6
[M]-	179.09519	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe