CID 10877955

Refchem:910082

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: 81
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	142.4
[M+Na]+	214.08386	147.9
[M-H]-	190.08736	145.8
[M+NH4]+	209.12846	161.3
[M+K]+	230.05780	146.7
[M+H-H2O]+	174.09190	136.1
[M+HCOO]-	236.09284	165.2
[M+CH3COO]-	250.10849	186.4
[M+Na-2H]-	212.06931	146.0
[M]+	191.09409	141.7
[M]-	191.09519	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe