CID 69396291

2287237-24-3

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCOC1=C(C=C(C=C1)C[C@@H](C)N)OC

InChI

InChI=1S/C12H19NO2/c1-4-15-11-6-5-10(7-9(2)13)8-12(11)14-3/h5-6,8-9H,4,7,13H2,1-3H3/t9-/m1/s1

InChIKey

RVWFZIVXDDQMII-SECBINFHSA-N

Compound name

(2R)-1-(4-ethoxy-3-methoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 209.14159 Da
Monoisotopic Mass: 1.6
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]+	210.14887	148.1
[M+Na]+	232.13081	159.3
[M+NH4]+	227.17541	155.9
[M+K]+	248.10475	153.4
[M-H]-	208.13431	150.3
[M+Na-2H]-	230.11626	153.6
[M]+	209.14104	150.2
[M]-	209.14214	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe