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: 161
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	135.4
[M+Na]+	175.10934	141.9
[M-H]-	151.11284	138.4
[M+NH4]+	170.15394	158.5
[M+K]+	191.08328	139.7
[M+H-H2O]+	135.11738	130.4
[M+HCOO]-	197.11832	158.0
[M+CH3COO]-	211.13397	176.0
[M+Na-2H]-	173.09479	138.2
[M]+	152.11957	133.8
[M]-	152.12067	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe