CID 21003

2-cyclopentylcyclopentanone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C1CCC(C1)C2CCCC2=O

InChI

InChI=1S/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2

InChIKey

CWZGKTMWPFTJCS-UHFFFAOYSA-N

Compound name

2-cyclopentylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 616
Patents: 152.12012 Da
Monoisotopic Mass: 2.6
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	136.2
[M+Na]+	175.10934	141.4
[M-H]-	151.11284	142.1
[M+NH4]+	170.15394	160.4
[M+K]+	191.08328	139.8
[M+H-H2O]+	135.11738	130.8
[M+HCOO]-	197.11832	157.9
[M+CH3COO]-	211.13397	174.2
[M+Na-2H]-	173.09479	136.7
[M]+	152.11957	130.7
[M]-	152.12067	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe