CID 21885377

9-decen-5-olide

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C=CCCCC1CCCC(=O)O1

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2,9H,1,3-8H2

InChIKey

CRLRWPURSWMXHH-UHFFFAOYSA-N

Compound name

6-pent-4-enyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 110
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	137.1
[M+Na]+	191.10426	142.5
[M-H]-	167.10776	140.5
[M+NH4]+	186.14886	156.2
[M+K]+	207.07820	141.9
[M+H-H2O]+	151.11230	131.5
[M+HCOO]-	213.11324	156.9
[M+CH3COO]-	227.12889	178.8
[M+Na-2H]-	189.08971	142.2
[M]+	168.11449	135.6
[M]-	168.11559	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe