CID 84078325

3-cyclobutylcyclobutan-1-one

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1CC(C1)C2CC(=O)C2

InChI

InChI=1S/C8H12O/c9-8-4-7(5-8)6-2-1-3-6/h6-7H,1-5H2

InChIKey

XCJPRYYUTHKRDV-UHFFFAOYSA-N

Compound name

3-cyclobutylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.08881 Da
Monoisotopic Mass: 1.6
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]+	125.09609	113.2
[M+Na]+	147.07803	117.7
[M-H]-	123.08153	119.5
[M+NH4]+	142.12263	122.2
[M+K]+	163.05197	122.5
[M+H-H2O]+	107.08607	99.8
[M+HCOO]-	169.08701	132.6
[M+CH3COO]-	183.10266	185.2
[M+Na-2H]-	145.06348	118.9
[M]+	124.08826	127.4
[M]-	124.08936	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.