CID 8452

Cyclopentanone

Structural Information

Molecular Formula

SMILES

C1CCC(=O)C1

InChI

InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2

InChIKey

BGTOWKSIORTVQH-UHFFFAOYSA-N

Compound name

cyclopentanone

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 857
References: 41123
Patents: 84.05752 Da
Monoisotopic Mass: 0.4
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]+	85.064796	115.4
[M+Na]+	107.04674	125.9
[M+NH4]+	102.09134	125.0
[M+K]+	123.02068	121.7
[M-H]-	83.050244	116.9
[M+Na-2H]-	105.03219	120.8
[M]+	84.056971	117.1
[M]-	84.058069	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.