CID 420973

3,5-dimethoxybenzylamine

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

COC1=CC(=CC(=C1)CN)OC

InChI

InChI=1S/C9H13NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6,10H2,1-2H3

InChIKey

YGZJTYCCONJJGZ-UHFFFAOYSA-N

Compound name

(3,5-dimethoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1173
Patents: 167.09464 Da
Monoisotopic Mass: 0.7
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]+	168.10192	134.2
[M+Na]+	190.08386	146.4
[M+NH4]+	185.12846	142.6
[M+K]+	206.05780	140.4
[M-H]-	166.08736	136.8
[M+Na-2H]-	188.06931	140.9
[M]+	167.09409	136.5
[M]-	167.09519	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe