CID 8423

3,4-dimethoxyamphetamine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

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

InChI

InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3

InChIKey

KAZPHAGSWZTKDW-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 439
Patents: 195.12593 Da
Monoisotopic Mass: 1.2
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]+	196.13321	143.9
[M+Na]+	218.11515	151.2
[M-H]-	194.11865	147.4
[M+NH4]+	213.15975	163.3
[M+K]+	234.08909	150.0
[M+H-H2O]+	178.12319	137.8
[M+HCOO]-	240.12413	167.7
[M+CH3COO]-	254.13978	188.7
[M+Na-2H]-	216.10060	147.6
[M]+	195.12538	145.8
[M]-	195.12648	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe