CID 86000

2-pentylidenecyclopentanone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CCCCC=C1CCCC1=O

InChI

InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h6H,2-5,7-8H2,1H3

InChIKey

YZKUNNFZLUCEET-UHFFFAOYSA-N

Compound name

2-pentylidenecyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 101
Patents: 152.12012 Da
Monoisotopic Mass: 2.7
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	136.6
[M+Na]+	175.10934	146.5
[M+NH4]+	170.15394	145.1
[M+K]+	191.08328	141.2
[M-H]-	151.11284	137.7
[M+Na-2H]-	173.09479	140.3
[M]+	152.11957	138.0
[M]-	152.12067	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe