CID 50999285

1607439-32-6

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)NC

InChI

InChI=1S/C10H12ClNO/c1-7(12-2)10(13)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3

InChIKey

VOEFELLSAAJCHJ-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-2-(methylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 156
Patents: 197.06075 Da
Monoisotopic Mass: 2.2
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]+	198.06803	141.1
[M+Na]+	220.04997	153.7
[M+NH4]+	215.09457	149.9
[M+K]+	236.02391	147.2
[M-H]-	196.05347	143.7
[M+Na-2H]-	218.03542	147.9
[M]+	197.06020	143.9
[M]-	197.06130	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe