CID 124003761

Bicyclo[3.2.2]nonane-6-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CC2CCC(C1)C(C2)C(=O)O

InChI

InChI=1S/C10H16O2/c11-10(12)9-6-7-2-1-3-8(9)5-4-7/h7-9H,1-6H2,(H,11,12)

InChIKey

RUBJIIMMNAVITE-UHFFFAOYSA-N

Compound name

bicyclo[3.2.2]nonane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 168.11504 Da
Monoisotopic Mass: 2.9
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]+	169.12232	124.8
[M+Na]+	191.10426	128.9
[M+NH4]+	186.14886	131.8
[M+K]+	207.07820	128.1
[M-H]-	167.10776	122.2
[M+Na-2H]-	189.08971	123.8
[M]+	168.11449	124.5
[M]-	168.11559	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe