CID 243075

1-cyclopentylbutan-1-one

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCC(=O)C1CCCC1

InChI

InChI=1S/C9H16O/c1-2-5-9(10)8-6-3-4-7-8/h8H,2-7H2,1H3

InChIKey

GUXITNMMJFSULS-UHFFFAOYSA-N

Compound name

1-cyclopentylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
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	133.4
[M+Na]+	163.10934	142.7
[M+NH4]+	158.15394	142.2
[M+K]+	179.08328	138.4
[M-H]-	139.11284	134.5
[M+Na-2H]-	161.09479	137.4
[M]+	140.11957	134.8
[M]-	140.12067	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe