CID 65007002

Spiro[3.5]nonane-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC2(CC1)CC(C2)C(=O)O

InChI

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

InChIKey

OWTIIAGNMRDTCU-UHFFFAOYSA-N

Compound name

spiro[3.5]nonane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 168.11504 Da
Monoisotopic Mass: 2.8
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	139.4
[M+Na]+	191.10426	144.3
[M+NH4]+	186.14886	145.4
[M+K]+	207.07820	139.2
[M-H]-	167.10776	138.4
[M+Na-2H]-	189.08971	142.4
[M]+	168.11449	138.5
[M]-	168.11559	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe