CID 84647909

1-azabicyclo[3.2.1]octan-5-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C1CC2(CCN(C1)C2)N

InChI

InChI=1S/C7H14N2/c8-7-2-1-4-9(6-7)5-3-7/h1-6,8H2

InChIKey

YTPKQQNPBLHPPM-UHFFFAOYSA-N

Compound name

1-azabicyclo[3.2.1]octan-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.1157 Da
Monoisotopic Mass: -0.2
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]+	127.12298	126.4
[M+Na]+	149.10492	132.4
[M-H]-	125.10842	126.9
[M+NH4]+	144.14952	151.8
[M+K]+	165.07886	130.8
[M+H-H2O]+	109.11296	120.9
[M+HCOO]-	171.11390	145.4
[M+CH3COO]-	185.12955	139.2
[M+Na-2H]-	147.09037	133.6
[M]+	126.11515	120.3
[M]-	126.11625	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.