CID 3086272

2-propanone, 1-o-anisidino-

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(=O)CNC1=CC=CC=C1OC

InChI

InChI=1S/C10H13NO2/c1-8(12)7-11-9-5-3-4-6-10(9)13-2/h3-6,11H,7H2,1-2H3

InChIKey

BLTOCKUZVXQTPH-UHFFFAOYSA-N

Compound name

1-(2-methoxyanilino)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.09464 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]+	180.101916	137.7
[M+Na]+	202.083858	144.7
[M-H]-	178.087364	141.5
[M+NH4]+	197.128463	157.6
[M+K]+	218.057798	143.5
[M+H-H2O]+	162.091900	131.6
[M+HCOO]-	224.092841	162.7
[M+CH3COO]-	238.108491	184.3
[M+Na-2H]-	200.069306	143.7
[M]+	179.09409142	139.2
[M]-	179.09518858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe