CID 29979100

88441-14-9

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

2
Annotation Hits: 5
References: 248
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	143.7
[M+Na]+	238.06052	157.0
[M+NH4]+	233.10512	152.3
[M+K]+	254.03446	150.1
[M-H]-	214.06402	146.4
[M+Na-2H]-	236.04597	150.1
[M]+	215.07075	146.6
[M]-	215.07185	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe