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]+	155.106656	125.4
[M+Na]+	177.088598	128.3
[M-H]-	153.092104	130.0
[M+NH4]+	172.133203	132.2
[M+K]+	193.062538	133.0
[M+H-H2O]+	137.096640	111.2
[M+HCOO]-	199.097581	142.0
[M+CH3COO]-	213.113231	188.0
[M+Na-2H]-	175.074046	128.3
[M]+	154.09883142	138.6
[M]-	154.09992858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe