CID 2817418

51410-09-4

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

InChI=1S/C11H13NO3/c1-7(13)10-6-9(12-8(2)14)4-5-11(10)15-3/h4-6H,1-3H3,(H,12,14)

InChIKey

AASQAKHOJXFRMC-UHFFFAOYSA-N

Compound name

N-(3-acetyl-4-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 207.08954 Da
Monoisotopic Mass: 1.2
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]+	208.096816	143.7
[M+Na]+	230.078758	151.3
[M-H]-	206.082264	147.8
[M+NH4]+	225.123363	162.6
[M+K]+	246.052698	150.3
[M+H-H2O]+	190.086800	137.6
[M+HCOO]-	252.087741	167.8
[M+CH3COO]-	266.103391	190.0
[M+Na-2H]-	228.064206	147.3
[M]+	207.08899142	146.0
[M]-	207.09008858	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe