CID 42603

3-isogranatanina bromidrato [italian]

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CC2CC(C1)CNC2

InChI

InChI=1S/C8H15N/c1-2-7-4-8(3-1)6-9-5-7/h7-9H,1-6H2

InChIKey

XAIUACHCJPWUEF-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 615
Patents: 125.12045 Da
Monoisotopic Mass: 1.5
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]+	126.12773	127.5
[M+Na]+	148.10967	138.3
[M+NH4]+	143.15427	137.9
[M+K]+	164.08361	131.1
[M-H]-	124.11317	129.0
[M+Na-2H]-	146.09512	131.4
[M]+	125.11990	129.3
[M]-	125.12100	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe