CID 5352428

18679-18-0

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CCCCC/C=C\CC1CCC(=O)O1

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-

InChIKey

QFXOXDSHNXAFEY-SREVYHEPSA-N

Compound name

5-[(Z)-oct-2-enyl]oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 236
Patents: 196.14633 Da
Monoisotopic Mass: 3.6
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]+	197.15361	147.9
[M+Na]+	219.13555	157.4
[M+NH4]+	214.18015	155.4
[M+K]+	235.10949	152.5
[M-H]-	195.13905	149.8
[M+Na-2H]-	217.12100	150.3
[M]+	196.14578	149.5
[M]-	196.14688	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe