CID 825838

3'-acetylamino-4'-methoxyacetophenone

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

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

InChIKey

YAWSGLTYMVPIRM-UHFFFAOYSA-N

Compound name

N-(5-acetyl-2-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.08954 Da
Monoisotopic Mass: 1.0
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

No literature data available for this compound.

Patent stripe

patents stripe