CID 2755794

1-(2-amino-5-ethoxyphenyl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCOC1=CC(=C(C=C1)N)C(=O)C

InChI

InChI=1S/C10H13NO2/c1-3-13-8-4-5-10(11)9(6-8)7(2)12/h4-6H,3,11H2,1-2H3

InChIKey

RKXKZFPFDJXXRF-UHFFFAOYSA-N

Compound name

1-(2-amino-5-ethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.09464 Da
Monoisotopic Mass: 2.1
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	138.3
[M+Na]+	202.08386	150.0
[M+NH4]+	197.12846	146.2
[M+K]+	218.05780	144.5
[M-H]-	178.08736	140.4
[M+Na-2H]-	200.06931	144.2
[M]+	179.09409	140.4
[M]-	179.09519	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe