CID 140359

Spiro[5.5]undecane-3-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

C1CCC2(CC1)CCC(CC2)C(=O)O

InChI

InChI=1S/C12H20O2/c13-11(14)10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9H2,(H,13,14)

InChIKey

IMZALJRIJNIAON-UHFFFAOYSA-N

Compound name

spiro[5.5]undecane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 196.14633 Da
Monoisotopic Mass: 3.9
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]+	197.15361	148.2
[M+Na]+	219.13555	157.3
[M+NH4]+	214.18015	158.5
[M+K]+	235.10949	149.4
[M-H]-	195.13905	150.7
[M+Na-2H]-	217.12100	153.7
[M]+	196.14578	150.1
[M]-	196.14688	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe