CID 10877919

2-(5-methoxy-1h-inden-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

COC1=CC2=C(CC=C2CCN)C=C1

InChI

InChI=1S/C12H15NO/c1-14-11-5-4-9-2-3-10(6-7-13)12(9)8-11/h3-5,8H,2,6-7,13H2,1H3

InChIKey

MOYBTOYTRHPHMD-UHFFFAOYSA-N

Compound name

2-(6-methoxy-3H-inden-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 189.11537 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]+	190.122646	140.9
[M+Na]+	212.104588	149.5
[M-H]-	188.108094	145.4
[M+NH4]+	207.149193	163.5
[M+K]+	228.078528	146.2
[M+H-H2O]+	172.112630	135.3
[M+HCOO]-	234.113571	165.9
[M+CH3COO]-	248.129221	186.2
[M+Na-2H]-	210.090036	146.3
[M]+	189.11482142	142.0
[M]-	189.11591858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe