CID 521855

Methyl[(3,4,5-trimethoxyphenyl)methyl]amine

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CNCC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3

InChIKey

LFULMNRPABTDDQ-UHFFFAOYSA-N

Compound name

N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 211.12085 Da
Monoisotopic Mass: 0.8
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]+	212.128126	145.4
[M+Na]+	234.110068	153.7
[M-H]-	210.113574	149.6
[M+NH4]+	229.154673	164.6
[M+K]+	250.084008	152.9
[M+H-H2O]+	194.118110	139.1
[M+HCOO]-	256.119051	171.0
[M+CH3COO]-	270.134701	191.8
[M+Na-2H]-	232.095516	150.7
[M]+	211.12030142	150.8
[M]-	211.12139858	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe