CID 40465646

1212264-50-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

InChI=1S/C10H15NO2/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-7H,11H2,1-3H3/t7-/m0/s1

InChIKey

WZDFPSLDFRVYEU-ZETCQYMHSA-N

Compound name

(1S)-1-(2,4-dimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 181.11028 Da
Monoisotopic Mass: 1.7
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	139.2
[M+Na]+	204.09950	146.9
[M-H]-	180.10300	142.9
[M+NH4]+	199.14410	159.2
[M+K]+	220.07344	145.9
[M+H-H2O]+	164.10754	133.3
[M+HCOO]-	226.10848	163.3
[M+CH3COO]-	240.12413	185.7
[M+Na-2H]-	202.08495	143.5
[M]+	181.10973	140.8
[M]-	181.11083	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe