CID 376091

65451-89-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

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

InChIKey

OEPFPKVWOOSTBV-ZETCQYMHSA-N

Compound name

(1S)-1-(3,4-dimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 480
Patents: 181.11028 Da
Monoisotopic Mass: 0.8
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	139.2
[M+Na]+	204.099498	146.9
[M-H]-	180.103004	142.9
[M+NH4]+	199.144103	159.2
[M+K]+	220.073438	145.9
[M+H-H2O]+	164.107540	133.3
[M+HCOO]-	226.108481	163.3
[M+CH3COO]-	240.124131	185.7
[M+Na-2H]-	202.084946	143.5
[M]+	181.10973142	140.8
[M]-	181.11082858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe