CID 5367848

(e)-2-(2-octenyl)cyclopentanone

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CCCCC/C=C/CC1CCCC1=O

InChI

InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+

InChIKey

QHEUOYOHVATZEB-VOTSOKGWSA-N

Compound name

2-[(E)-oct-2-enyl]cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 219
Patents: 194.16707 Da
Monoisotopic Mass: 3.8
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]+	195.17435	149.3
[M+Na]+	217.15629	154.5
[M-H]-	193.15979	151.7
[M+NH4]+	212.20089	170.7
[M+K]+	233.13023	151.5
[M+H-H2O]+	177.16433	143.7
[M+HCOO]-	239.16527	170.9
[M+CH3COO]-	253.18092	185.1
[M+Na-2H]-	215.14174	150.4
[M]+	194.16652	148.8
[M]-	194.16762	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe