CID 23344478

76731-21-0

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC(C1)C2CC(C2)C(=O)O

InChI

InChI=1S/C9H14O2/c10-9(11)8-4-7(5-8)6-2-1-3-6/h6-8H,1-5H2,(H,10,11)

InChIKey

YIVYXBYLXPDOIL-UHFFFAOYSA-N

Compound name

3-cyclobutylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.09938 Da
Monoisotopic Mass: 2.2
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]+	155.10666	139.2
[M+Na]+	177.08860	139.9
[M+NH4]+	172.13320	139.4
[M+K]+	193.06254	139.1
[M-H]-	153.09210	135.7
[M+Na-2H]-	175.07405	138.5
[M]+	154.09883	135.9
[M]-	154.09993	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe