CID 71872

Metamfepramone

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C(=O)C1=CC=CC=C1)N(C)C

InChI

InChI=1S/C11H15NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3

InChIKey

KBHMHROOFHVLBA-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 2408
Patents: 177.11537 Da
Monoisotopic Mass: 2.1
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]+	178.122646	139.7
[M+Na]+	200.104588	145.3
[M-H]-	176.108094	144.6
[M+NH4]+	195.149193	160.0
[M+K]+	216.078528	145.2
[M+H-H2O]+	160.112630	133.3
[M+HCOO]-	222.113571	163.6
[M+CH3COO]-	236.129221	188.6
[M+Na-2H]-	198.090036	143.9
[M]+	177.11482142	140.3
[M]-	177.11591858	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe