CID 10877955

2-methylacetoacetanilide

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c1-8(9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)

InChIKey

RNZCXQSXXMSWPG-UHFFFAOYSA-N

Compound name

2-methyl-3-oxo-N-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 87
Patents: 191.09464 Da
Monoisotopic Mass: 1.9
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]+	192.10192	142.9
[M+Na]+	214.08386	153.3
[M+NH4]+	209.12846	150.2
[M+K]+	230.05780	148.4
[M-H]-	190.08736	144.3
[M+Na-2H]-	212.06931	148.6
[M]+	191.09409	144.5
[M]-	191.09519	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe