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

5
Annotation Hits: 0
References: 240
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]+	197.153606	147.6
[M+Na]+	219.135548	153.2
[M-H]-	195.139054	150.8
[M+NH4]+	214.180153	167.6
[M+K]+	235.109488	151.9
[M+H-H2O]+	179.143590	142.2
[M+HCOO]-	241.144531	168.9
[M+CH3COO]-	255.160181	184.0
[M+Na-2H]-	217.120996	150.3
[M]+	196.14578142	148.8
[M]-	196.14687858	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe