CID 43810752

Octahydroindolizin-1-amine

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

C1CCN2CCC(C2C1)N

InChI

InChI=1S/C8H16N2/c9-7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6,9H2

InChIKey

RBFAPBHHGYLKEK-UHFFFAOYSA-N

Compound name

1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 140.13135 Da
Monoisotopic Mass: 0.4
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]+	141.138626	130.9
[M+Na]+	163.120568	136.0
[M-H]-	139.124074	132.5
[M+NH4]+	158.165173	153.3
[M+K]+	179.094508	134.1
[M+H-H2O]+	123.128610	124.6
[M+HCOO]-	185.129551	149.7
[M+CH3COO]-	199.145201	175.0
[M+Na-2H]-	161.106016	134.8
[M]+	140.13080142	123.3
[M]-	140.13189858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe