CID 84649877

1781639-39-1

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CC2CCC1CC2CCN

InChI

InChI=1S/C10H19N/c11-6-5-10-7-8-1-3-9(10)4-2-8/h8-10H,1-7,11H2

InChIKey

GRTQEDXZJPQQDN-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.2]octanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.15175 Da
Monoisotopic Mass: 2.7
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]+	154.15903	134.5
[M+Na]+	176.14097	137.5
[M-H]-	152.14447	130.5
[M+NH4]+	171.18557	159.5
[M+K]+	192.11491	135.1
[M+H-H2O]+	136.14901	130.2
[M+HCOO]-	198.14995	146.7
[M+CH3COO]-	212.16560	144.9
[M+Na-2H]-	174.12642	144.6
[M]+	153.15120	132.3
[M]-	153.15230	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.