CID 136101

Bicyclo[3.3.1]nonane

Structural Information

Molecular Formula

C₉H₁₆

SMILES

C1CC2CCCC(C1)C2

InChI

InChI=1S/C9H16/c1-3-8-5-2-6-9(4-1)7-8/h8-9H,1-7H2

InChIKey

WNTGVOIBBXFMLR-UHFFFAOYSA-N

Compound name

bicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 34
References: 10357
Patents: 124.1252 Da
Monoisotopic Mass: 4.1
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]+	125.132476	126.1
[M+Na]+	147.114418	130.0
[M-H]-	123.117924	127.8
[M+NH4]+	142.159023	149.6
[M+K]+	163.088358	128.4
[M+H-H2O]+	107.122460	121.0
[M+HCOO]-	169.123401	143.1
[M+CH3COO]-	183.139051	171.9
[M+Na-2H]-	145.099866	133.5
[M]+	124.12465142	119.4
[M]-	124.12574858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe