CID 13108541

1-cyclopentyl-2-methoxyethan-1-one

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

COCC(=O)C1CCCC1

InChI

InChI=1S/C8H14O2/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3

InChIKey

PYPUDSQLJBSGCQ-UHFFFAOYSA-N

Compound name

1-cyclopentyl-2-methoxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.09938 Da
Monoisotopic Mass: 1.4
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]+	143.10666	131.9
[M+Na]+	165.08860	141.0
[M+NH4]+	160.13320	140.3
[M+K]+	181.06254	137.4
[M-H]-	141.09210	132.6
[M+Na-2H]-	163.07405	135.7
[M]+	142.09883	133.1
[M]-	142.09993	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.