CID 20118683

[3-(2-methoxyethoxy)phenyl]methanamine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COCCOC1=CC=CC(=C1)CN

InChI

InChI=1S/C10H15NO2/c1-12-5-6-13-10-4-2-3-9(7-10)8-11/h2-4,7H,5-6,8,11H2,1H3

InChIKey

LFJMLEFCFRQLPB-UHFFFAOYSA-N

Compound name

[3-(2-methoxyethoxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 181.11028 Da
Monoisotopic Mass: 0.6
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	139.0
[M+Na]+	204.09950	146.0
[M-H]-	180.10300	142.1
[M+NH4]+	199.14410	158.6
[M+K]+	220.07344	144.4
[M+H-H2O]+	164.10754	132.7
[M+HCOO]-	226.10848	164.1
[M+CH3COO]-	240.12413	183.7
[M+Na-2H]-	202.08495	145.2
[M]+	181.10973	140.8
[M]-	181.11083	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe