CID 66588

86-83-9

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CC(=O)CC(=O)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C14H13NO2/c1-10(16)9-14(17)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,15,17)

InChIKey

LKVXQCKDIYHFGZ-UHFFFAOYSA-N

Compound name

N-naphthalen-1-yl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 94
Patents: 227.09464 Da
Monoisotopic Mass: 2.0
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]+	228.10192	149.5
[M+Na]+	250.08386	156.2
[M-H]-	226.08736	153.9
[M+NH4]+	245.12846	168.1
[M+K]+	266.05780	153.1
[M+H-H2O]+	210.09190	142.8
[M+HCOO]-	272.09284	172.1
[M+CH3COO]-	286.10849	193.3
[M+Na-2H]-	248.06931	155.5
[M]+	227.09409	149.7
[M]-	227.09519	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe