CID 14539994

Yuzu lactone

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

C1CCC/C=C/CCOC(=O)CCC1

InChI

InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5+

InChIKey

FZKPUQQWULXMCD-FNORWQNLSA-N

Compound name

(10E)-1-oxacyclotridec-10-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 196.14633 Da
Monoisotopic Mass: 3.7
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]+	197.15361	143.7
[M+Na]+	219.13555	154.1
[M+NH4]+	214.18015	151.4
[M+K]+	235.10949	147.6
[M-H]-	195.13905	147.8
[M+Na-2H]-	217.12100	149.5
[M]+	196.14578	145.9
[M]-	196.14688	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe