CID 20959

2-pentylcyclopentanone

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCCCC1CCCC1=O

InChI

InChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3

InChIKey

VNWOJVJCRAHBJJ-UHFFFAOYSA-N

Compound name

2-pentylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 6262
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.14305	136.6
[M+Na]+	177.12499	142.6
[M-H]-	153.12849	139.5
[M+NH4]+	172.16959	159.6
[M+K]+	193.09893	141.1
[M+H-H2O]+	137.13303	131.4
[M+HCOO]-	199.13397	159.0
[M+CH3COO]-	213.14962	177.6
[M+Na-2H]-	175.11044	139.3
[M]+	154.13522	135.8
[M]-	154.13632	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe