CID 19599836

Bicyclo[3.3.1]nonan-9-amine, hydrochloride (1:1)

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC2CCCC(C1)C2N

InChI

InChI=1S/C9H17N/c10-9-7-3-1-4-8(9)6-2-5-7/h7-9H,1-6,10H2

InChIKey

PIRAWXIEUDZDML-UHFFFAOYSA-N

Compound name

bicyclo[3.3.1]nonan-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 139.1361 Da
Monoisotopic Mass: 1.9
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]+	140.14338	129.8
[M+Na]+	162.12532	133.9
[M-H]-	138.12882	131.2
[M+NH4]+	157.16992	152.4
[M+K]+	178.09926	131.8
[M+H-H2O]+	122.13336	124.6
[M+HCOO]-	184.13430	147.1
[M+CH3COO]-	198.14995	177.0
[M+Na-2H]-	160.11077	135.8
[M]+	139.13555	121.8
[M]-	139.13665	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe