CID 14522

3-methyl-3-azoniabicyclo(3.2.2)nonane iodide

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CN1CC2CCC(C1)CC2

InChI

InChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3

InChIKey

VYMQLQVLMDEDRO-UHFFFAOYSA-N

Compound name

3-methyl-3-azabicyclo[3.2.2]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 139.1361 Da
Monoisotopic Mass: 1.8
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	121.5
[M+Na]+	162.12532	126.8
[M+NH4]+	157.16992	129.3
[M+K]+	178.09926	124.9
[M-H]-	138.12882	119.7
[M+Na-2H]-	160.11077	121.6
[M]+	139.13555	121.7
[M]-	139.13665	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe