CID 44350127

Methallylescaline

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CC(=C)COC1=C(C=C(C=C1OC)CCN)OC

InChI

InChI=1S/C14H21NO3/c1-10(2)9-18-14-12(16-3)7-11(5-6-15)8-13(14)17-4/h7-8H,1,5-6,9,15H2,2-4H3

InChIKey

FOXJFBFFGULACD-UHFFFAOYSA-N

Compound name

2-[3,5-dimethoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 133
Patents: 251.15215 Da
Monoisotopic Mass: 2.0
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]+	252.15943	158.9
[M+Na]+	274.14137	166.0
[M-H]-	250.14487	162.2
[M+NH4]+	269.18597	176.1
[M+K]+	290.11531	164.0
[M+H-H2O]+	234.14941	152.2
[M+HCOO]-	296.15035	182.0
[M+CH3COO]-	310.16600	200.3
[M+Na-2H]-	272.12682	160.3
[M]+	251.15160	163.0
[M]-	251.15270	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe