CID 212480

Beatrice

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

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

InChI

InChI=1S/C13H21NO2/c1-9-6-13(16-5)11(7-10(2)14-3)8-12(9)15-4/h6,8,10,14H,7H2,1-5H3

InChIKey

IWYGVDBZCSCJGT-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxy-4-methylphenyl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1480
Patents: 223.15723 Da
Monoisotopic Mass: 2.8
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]+	224.164506	152.1
[M+Na]+	246.146448	159.4
[M-H]-	222.149954	156.1
[M+NH4]+	241.191053	170.9
[M+K]+	262.120388	158.1
[M+H-H2O]+	206.154490	145.8
[M+HCOO]-	268.155431	175.8
[M+CH3COO]-	282.171081	196.7
[M+Na-2H]-	244.131896	155.1
[M]+	223.15668142	156.1
[M]-	223.15777858	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe