CID 5121507

10533-14-9

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

C1CCC2CN(CCC2C1)CCN

InChI

InChI=1S/C11H22N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h10-11H,1-9,12H2

InChIKey

UNOSOYOFHHRTED-UHFFFAOYSA-N

Compound name

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 182.1783 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]+	183.185576	143.8
[M+Na]+	205.167518	146.7
[M-H]-	181.171024	144.6
[M+NH4]+	200.212123	162.6
[M+K]+	221.141458	144.0
[M+H-H2O]+	165.175560	136.6
[M+HCOO]-	227.176501	159.4
[M+CH3COO]-	241.192151	184.5
[M+Na-2H]-	203.152966	147.7
[M]+	182.17775142	135.1
[M]-	182.17884858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe