CID 21576

5437-98-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

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

InChIKey

SWAJJKROCOJICG-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 283
Patents: 207.08954 Da
Monoisotopic Mass: 1.5
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]+	208.09682	145.4
[M+Na]+	230.07876	156.1
[M+NH4]+	225.12336	152.3
[M+K]+	246.05270	151.1
[M-H]-	206.08226	146.6
[M+Na-2H]-	228.06421	150.8
[M]+	207.08899	146.9
[M]-	207.09009	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe