CID 85875

2,5-dimethoxy-4-methylamphetamine

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC1=CC(=C(C=C1OC)CC(C)N)OC

InChI

InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3

InChIKey

NTJQREUGJKIARY-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 380
References: 947
Patents: 209.14159 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]+	210.148866	148.1
[M+Na]+	232.130808	155.8
[M-H]-	208.134314	151.7
[M+NH4]+	227.175413	167.2
[M+K]+	248.104748	154.4
[M+H-H2O]+	192.138850	142.0
[M+HCOO]-	254.139791	171.5
[M+CH3COO]-	268.155441	193.0
[M+Na-2H]-	230.116256	150.5
[M]+	209.14104142	150.7
[M]-	209.14213858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe