CID 84768464

124283-46-1

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COC(C1=CC=CC(=C1)CN)OC

InChI

InChI=1S/C10H15NO2/c1-12-10(13-2)9-5-3-4-8(6-9)7-11/h3-6,10H,7,11H2,1-2H3

InChIKey

DTAAATXSAJQACD-UHFFFAOYSA-N

Compound name

[3-(dimethoxymethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.11028 Da
Monoisotopic Mass: 0.4
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]+	182.11756	139.7
[M+Na]+	204.09950	146.4
[M-H]-	180.10300	142.9
[M+NH4]+	199.14410	159.3
[M+K]+	220.07344	145.4
[M+H-H2O]+	164.10754	133.5
[M+HCOO]-	226.10848	163.8
[M+CH3COO]-	240.12413	184.5
[M+Na-2H]-	202.08495	144.6
[M]+	181.10973	140.8
[M]-	181.11083	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.