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: 35
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]+	182.117556	140.6
[M+Na]+	204.099498	146.1
[M-H]-	180.103004	143.5
[M+NH4]+	199.144103	159.8
[M+K]+	220.073438	145.5
[M+H-H2O]+	164.107540	134.2
[M+HCOO]-	226.108481	163.7
[M+CH3COO]-	240.124131	184.3
[M+Na-2H]-	202.084946	144.9
[M]+	181.10973142	140.7
[M]-	181.11082858	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe