CID 5352626

Jasmine lactone

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC/C=C\CC1CCCC(=O)O1

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-

InChIKey

XPPALVZZCMPTIV-ARJAWSKDSA-N

Compound name

6-[(Z)-pent-2-enyl]oxan-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 1945
Patents: 168.11504 Da
Monoisotopic Mass: 2.4
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]+	169.12232	137.3
[M+Na]+	191.10426	142.8
[M-H]-	167.10776	140.7
[M+NH4]+	186.14886	156.6
[M+K]+	207.07820	142.2
[M+H-H2O]+	151.11230	131.8
[M+HCOO]-	213.11324	157.2
[M+CH3COO]-	227.12889	178.2
[M+Na-2H]-	189.08971	142.4
[M]+	168.11449	135.7
[M]-	168.11559	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe