CID 69995

2-cyclopentylidenecyclopentanone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C1CCC(=C2CCCC2=O)C1

InChI

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

InChIKey

NYSYNXRPXJZYFY-UHFFFAOYSA-N

Compound name

2-cyclopentylidenecyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 150.10446 Da
Monoisotopic Mass: 1.8
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]+	151.11174	135.4
[M+Na]+	173.09368	141.0
[M-H]-	149.09718	141.4
[M+NH4]+	168.13828	159.7
[M+K]+	189.06762	138.8
[M+H-H2O]+	133.10172	130.1
[M+HCOO]-	195.10266	157.4
[M+CH3COO]-	209.11831	172.7
[M+Na-2H]-	171.07913	135.9
[M]+	150.10391	129.2
[M]-	150.10501	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe