CID 15146219

3-isobutylcyclopentanone

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC(C)CC1CCC(=O)C1

InChI

InChI=1S/C9H16O/c1-7(2)5-8-3-4-9(10)6-8/h7-8H,3-6H2,1-2H3

InChIKey

HVLJAVCVDGMFKX-UHFFFAOYSA-N

Compound name

3-(2-methylpropyl)cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 140.12012 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]+	141.12740	132.6
[M+Na]+	163.10934	142.4
[M+NH4]+	158.15394	141.5
[M+K]+	179.08328	138.3
[M-H]-	139.11284	133.9
[M+Na-2H]-	161.09479	136.5
[M]+	140.11957	134.1
[M]-	140.12067	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe