CID 78966

9-bbn compound

Structural Information

Molecular Formula

C₈H₁₅B

SMILES

B1C2CCCC1CCC2

InChI

InChI=1S/C8H15B/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2

InChIKey

FEJUGLKDZJDVFY-UHFFFAOYSA-N

Compound name

9-borabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 0
Patents: 122.12668 Da
Monoisotopic Mass: None
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]+	123.13396	124.3
[M+Na]+	145.11590	128.3
[M-H]-	121.11940	126.0
[M+NH4]+	140.16050	147.9
[M+K]+	161.08984	126.8
[M+H-H2O]+	105.12394	119.2
[M+HCOO]-	167.12488	141.4
[M+CH3COO]-	181.14053	136.7
[M+Na-2H]-	143.10135	131.9
[M]+	122.12613	117.6
[M]-	122.12723	117.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.