CID 13046681

2,2-dimethoxy-2-phenylethan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

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

InChIKey

SNHNHEMULPNHGU-UHFFFAOYSA-N

Compound name

2,2-dimethoxy-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 70
Patents: 181.11028 Da
Monoisotopic Mass: 1.4
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	139.6
[M+Na]+	204.09950	146.1
[M-H]-	180.10300	142.7
[M+NH4]+	199.14410	159.1
[M+K]+	220.07344	145.0
[M+H-H2O]+	164.10754	133.8
[M+HCOO]-	226.10848	163.2
[M+CH3COO]-	240.12413	182.9
[M+Na-2H]-	202.08495	147.2
[M]+	181.10973	140.5
[M]-	181.11083	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe