CID 23192400

Schembl8752469

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC

InChI

InChI=1S/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)11(14)7-15-2/h3-6H,7H2,1-2H3,(H,12,13)

InChIKey

LESSBWXWERIDEG-UHFFFAOYSA-N

Compound name

N-[4-(2-methoxyacetyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.08954 Da
Monoisotopic Mass: 1.1
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]+	208.096816	144.5
[M+Na]+	230.078758	151.1
[M-H]-	206.082264	148.2
[M+NH4]+	225.123363	163.0
[M+K]+	246.052698	150.0
[M+H-H2O]+	190.086800	138.1
[M+HCOO]-	252.087741	168.5
[M+CH3COO]-	266.103391	188.8
[M+Na-2H]-	228.064206	148.8
[M]+	207.08899142	146.3
[M]-	207.09008858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe