CID 233283

6318-64-5

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

InChI=1S/C9H11NO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,10H2,1-2H3

InChIKey

LRUQWUYHWFRXPC-UHFFFAOYSA-N

Compound name

1-(3-amino-4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 165.07898 Da
Monoisotopic Mass: 0.9
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	133.1
[M+Na]+	188.068198	141.5
[M-H]-	164.071704	137.0
[M+NH4]+	183.112803	153.6
[M+K]+	204.042138	140.2
[M+H-H2O]+	148.076240	127.5
[M+HCOO]-	210.077181	157.8
[M+CH3COO]-	224.092831	181.8
[M+Na-2H]-	186.053646	137.9
[M]+	165.07843142	133.6
[M]-	165.07952858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe