CID 1576

Methcathinone

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3

InChIKey

LPLLVINFLBSFRP-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 194
References: 8497
Patents: 163.09972 Da
Monoisotopic Mass: 1.6
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]+	164.10700	135.5
[M+Na]+	186.08894	141.4
[M-H]-	162.09244	139.0
[M+NH4]+	181.13354	155.7
[M+K]+	202.06288	140.0
[M+H-H2O]+	146.09698	129.5
[M+HCOO]-	208.09792	159.2
[M+CH3COO]-	222.11357	182.0
[M+Na-2H]-	184.07439	141.0
[M]+	163.09917	134.5
[M]-	163.10027	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe