CID 21714027

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

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COC(C(C1=CC=CC=C1)N)OC

InChI

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

InChIKey

XAEPJGPTFHSUGJ-UHFFFAOYSA-N

Compound name

2,2-dimethoxy-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 181.11028 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]+	182.11756	139.9
[M+Na]+	204.09950	150.5
[M+NH4]+	199.14410	147.9
[M+K]+	220.07344	145.4
[M-H]-	180.10300	141.9
[M+Na-2H]-	202.08495	146.0
[M]+	181.10973	141.8
[M]-	181.11083	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe