CID 29979100

2,5-dimethoxy-4-chlorophenethylamine

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₂

SMILES

COC1=CC(=C(C=C1CCN)OC)Cl

InChI

InChI=1S/C10H14ClNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

InChIKey

CGKQFIWIPSIVAS-UHFFFAOYSA-N

Compound name

2-(4-chloro-2,5-dimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 249
Patents: 215.0713 Da
Monoisotopic Mass: 2.1
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]+	216.07858	144.8
[M+Na]+	238.06052	154.4
[M-H]-	214.06402	148.5
[M+NH4]+	233.10512	164.6
[M+K]+	254.03446	150.9
[M+H-H2O]+	198.06856	139.9
[M+HCOO]-	260.06950	165.3
[M+CH3COO]-	274.08515	189.8
[M+Na-2H]-	236.04597	149.1
[M]+	215.07075	149.3
[M]-	215.07185	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe