CID 117549

2-pentyl-2-cyclopenten-1-one

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CCCCCC1=CCCC1=O

InChI

InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3

InChIKey

ILHZVKAXFCDFMT-UHFFFAOYSA-N

Compound name

2-pentylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 839
Patents: 152.12012 Da
Monoisotopic Mass: 3.0
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]+	153.12740	134.4
[M+Na]+	175.10934	141.5
[M-H]-	151.11284	137.7
[M+NH4]+	170.15394	157.6
[M+K]+	191.08328	139.8
[M+H-H2O]+	135.11738	129.3
[M+HCOO]-	197.11832	158.3
[M+CH3COO]-	211.13397	177.2
[M+Na-2H]-	173.09479	138.2
[M]+	152.11957	135.1
[M]-	152.12067	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe