CID 53249194

Buphedrone

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3

InChIKey

DDPMGIMJSRUULN-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-phenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 1304
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	140.2
[M+Na]+	200.104588	145.6
[M-H]-	176.108094	143.5
[M+NH4]+	195.149193	159.8
[M+K]+	216.078528	144.0
[M+H-H2O]+	160.112630	133.9
[M+HCOO]-	222.113571	163.6
[M+CH3COO]-	236.129221	185.0
[M+Na-2H]-	198.090036	145.1
[M]+	177.11482142	139.5
[M]-	177.11591858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe