CID 129318262

Mexedrone

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC=C(C=C1)C(=O)C(COC)NC

InChI

InChI=1S/C12H17NO2/c1-9-4-6-10(7-5-9)12(14)11(13-2)8-15-3/h4-7,11,13H,8H2,1-3H3

InChIKey

JHGDCSPZKQLBOP-UHFFFAOYSA-N

Compound name

3-methoxy-2-(methylamino)-1-(4-methylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 18
Patents: 207.12593 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]+	208.133206	147.4
[M+Na]+	230.115148	153.3
[M-H]-	206.118654	150.9
[M+NH4]+	225.159753	166.1
[M+K]+	246.089088	152.0
[M+H-H2O]+	190.123190	141.0
[M+HCOO]-	252.124131	170.7
[M+CH3COO]-	266.139781	191.2
[M+Na-2H]-	228.100596	151.1
[M]+	207.12538142	148.9
[M]-	207.12647858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe