CID 47800

66016-20-4

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC(C1)C2CC(C2)C(=O)O

InChI

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

InChIKey

KAGYGNAEIJEXGR-UHFFFAOYSA-N

Compound name

3-cyclopentylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 2.7
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	139.2
[M+Na]+	191.10426	143.2
[M+NH4]+	186.14886	143.4
[M+K]+	207.07820	142.0
[M-H]-	167.10776	138.0
[M+Na-2H]-	189.08971	140.2
[M]+	168.11449	137.9
[M]-	168.11559	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.