CID 5367850

Hexenyl cyclopentanone

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CCC/C=C/CC1CCCC1=O

InChI

InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10H,2-3,6-9H2,1H3/b5-4+

InChIKey

XXQYRQXKTWEIFQ-SNAWJCMRSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 134
Patents: 166.13577 Da
Monoisotopic Mass: 2.7
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]+	167.143046	140.1
[M+Na]+	189.124988	146.1
[M-H]-	165.128494	142.9
[M+NH4]+	184.169593	162.6
[M+K]+	205.098928	143.7
[M+H-H2O]+	149.133030	134.8
[M+HCOO]-	211.133971	162.3
[M+CH3COO]-	225.149621	179.0
[M+Na-2H]-	187.110436	142.2
[M]+	166.13522142	138.8
[M]-	166.13631858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe