CID 412889

2-amino-4'-methoxyacetophenone hydrochloride

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

COC1=CC=C(C=C1)C(=O)CN

InChI

InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6,10H2,1H3

InChIKey

CNYAWQABGNEMFC-UHFFFAOYSA-N

Compound name

2-amino-1-(4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 460
Patents: 165.07898 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]+	166.086256	133.6
[M+Na]+	188.068198	141.1
[M-H]-	164.071704	137.1
[M+NH4]+	183.112803	153.8
[M+K]+	204.042138	139.7
[M+H-H2O]+	148.076240	127.7
[M+HCOO]-	210.077181	158.3
[M+CH3COO]-	224.092831	180.6
[M+Na-2H]-	186.053646	139.1
[M]+	165.07843142	133.7
[M]-	165.07952858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe