CID 3022914

3-(cyclopentylidene)cyclopentan-1-one

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C1CCC(=C2CCC(=O)C2)C1

InChI

InChI=1S/C10H14O/c11-10-6-5-9(7-10)8-3-1-2-4-8/h1-7H2

InChIKey

GIJRNBKPTAAZNP-UHFFFAOYSA-N

Compound name

3-cyclopentylidenecyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.10446 Da
Monoisotopic Mass: 1.2
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]+	151.111736	135.4
[M+Na]+	173.093678	141.0
[M-H]-	149.097184	141.4
[M+NH4]+	168.138283	159.7
[M+K]+	189.067618	138.8
[M+H-H2O]+	133.101720	130.1
[M+HCOO]-	195.102661	157.4
[M+CH3COO]-	209.118311	172.7
[M+Na-2H]-	171.079126	135.9
[M]+	150.10391142	129.2
[M]-	150.10500858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.