CID 86055585

2(3h)-furanone, 5-(6-hepten-1-yl)dihydro-

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C=CCCCCCC1CCC(=O)O1

InChI

InChI=1S/C11H18O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h2,10H,1,3-9H2

InChIKey

ADNQKFLRLADIEU-UHFFFAOYSA-N

Compound name

5-hept-6-enyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 182.13068 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]+	183.137956	142.7
[M+Na]+	205.119898	148.6
[M-H]-	181.123404	146.0
[M+NH4]+	200.164503	163.1
[M+K]+	221.093838	147.5
[M+H-H2O]+	165.127940	137.4
[M+HCOO]-	227.128881	164.3
[M+CH3COO]-	241.144531	181.6
[M+Na-2H]-	203.105346	145.9
[M]+	182.13013142	143.6
[M]-	182.13122858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe