CID 91247

3,5-dimethoxyamphetamine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(CC1=CC(=CC(=C1)OC)OC)N

InChI

InChI=1S/C11H17NO2/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3/h5-8H,4,12H2,1-3H3

InChIKey

PDCLPGSYMZLLDX-UHFFFAOYSA-N

Compound name

1-(3,5-dimethoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 195.12593 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]+	196.133206	143.9
[M+Na]+	218.115148	151.2
[M-H]-	194.118654	147.4
[M+NH4]+	213.159753	163.3
[M+K]+	234.089088	150.0
[M+H-H2O]+	178.123190	137.8
[M+HCOO]-	240.124131	167.7
[M+CH3COO]-	254.139781	188.7
[M+Na-2H]-	216.100596	147.6
[M]+	195.12538142	145.8
[M]-	195.12647858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe