CID 526795

Meadowlactone

Structural Information

Molecular Formula

C₂₀H₃₈O₂

SMILES

CCCCCCCCCCCCCCCC1CCCC(=O)O1

InChI

InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h19H,2-18H2,1H3

InChIKey

LLPDOHGLBDHCJZ-UHFFFAOYSA-N

Compound name

6-pentadecyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 115
Patents: 310.28717 Da
Monoisotopic Mass: 8.0
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]+	311.294446	184.5
[M+Na]+	333.276388	185.4
[M-H]-	309.279894	185.8
[M+NH4]+	328.320993	197.9
[M+K]+	349.250328	182.7
[M+H-H2O]+	293.284430	176.8
[M+HCOO]-	355.285371	200.7
[M+CH3COO]-	369.301021	209.9
[M+Na-2H]-	331.261836	184.1
[M]+	310.28662142	187.3
[M]-	310.28771858	187.3

Literature stripe

literature stripe

Patent stripe

patents stripe