CID 92631

Cyclopentanone, 2-(2-pentynyl)-

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCC#CCC1CCCC1=O

InChI

InChI=1S/C10H14O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2,5-8H2,1H3

InChIKey

LEILLIRFSQTRFY-UHFFFAOYSA-N

Compound name

2-pent-2-ynylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 150.10446 Da
Monoisotopic Mass: 2.0
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	133.8
[M+Na]+	173.09368	143.3
[M-H]-	149.09718	135.8
[M+NH4]+	168.13828	154.6
[M+K]+	189.06762	139.2
[M+H-H2O]+	133.10172	122.8
[M+HCOO]-	195.10266	150.9
[M+CH3COO]-	209.11831	183.4
[M+Na-2H]-	171.07913	136.3
[M]+	150.10391	127.3
[M]-	150.10501	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe