CID 362197

Bicyclo[3.3.1]nonane-1-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CC2CCCC(C1)(C2)C(=O)O

InChI

InChI=1S/C10H16O2/c11-9(12)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7H2,(H,11,12)

InChIKey

VGQJCBJXYSHVQD-UHFFFAOYSA-N

Compound name

bicyclo[3.3.1]nonane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 168.11504 Da
Monoisotopic Mass: 2.6
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	138.6
[M+Na]+	191.10426	148.0
[M+NH4]+	186.14886	149.4
[M+K]+	207.07820	140.3
[M-H]-	167.10776	139.4
[M+Na-2H]-	189.08971	142.5
[M]+	168.11449	140.1
[M]-	168.11559	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe