CID 58227857

3-cyclopentylcyclobutan-1-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CCC(C1)C2CC(=O)C2

InChI

InChI=1S/C9H14O/c10-9-5-8(6-9)7-3-1-2-4-7/h7-8H,1-6H2

InChIKey

STYWWMIFJQPWDI-UHFFFAOYSA-N

Compound name

3-cyclopentylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	129.3
[M+Na]+	161.09368	135.0
[M+NH4]+	156.13828	134.9
[M+K]+	177.06762	132.6
[M-H]-	137.09718	129.5
[M+Na-2H]-	159.07913	132.2
[M]+	138.10391	128.8
[M]-	138.10501	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe