CID 57468283

Dtxsid00893555

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC/C=C\CCC1=CC(=O)CC1

InChI

InChI=1S/C11H16O/c1-2-3-4-5-6-10-7-8-11(12)9-10/h3-4,9H,2,5-8H2,1H3/b4-3-

InChIKey

MNDIPYKZPZKECD-ARJAWSKDSA-N

Compound name

3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 9
Patents: 164.12012 Da
Monoisotopic Mass: 2.1
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]+	165.12740	137.9
[M+Na]+	187.10934	145.0
[M-H]-	163.11284	141.1
[M+NH4]+	182.15394	160.6
[M+K]+	203.08328	142.4
[M+H-H2O]+	147.11738	132.7
[M+HCOO]-	209.11832	161.7
[M+CH3COO]-	223.13397	178.6
[M+Na-2H]-	185.09479	141.2
[M]+	164.11957	138.2
[M]-	164.12067	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe