CID 84078217

3-cyclobutylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC(C1)C2CC(C2)C=O

InChI

InChI=1S/C9H14O/c10-6-7-4-9(5-7)8-2-1-3-8/h6-9H,1-5H2

InChIKey

XSXQTNAHWIJEND-UHFFFAOYSA-N

Compound name

3-cyclobutylcyclobutane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 2.1
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]+	139.11174	132.4
[M+Na]+	161.09368	134.3
[M+NH4]+	156.13828	133.6
[M+K]+	177.06762	132.3
[M-H]-	137.09718	130.0
[M+Na-2H]-	159.07913	133.2
[M]+	138.10391	129.7
[M]-	138.10501	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.