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: 137
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]+	311.29445	184.5
[M+Na]+	333.27639	185.4
[M-H]-	309.27989	185.8
[M+NH4]+	328.32099	197.9
[M+K]+	349.25033	182.7
[M+H-H2O]+	293.28443	176.8
[M+HCOO]-	355.28537	200.7
[M+CH3COO]-	369.30102	209.9
[M+Na-2H]-	331.26184	184.1
[M]+	310.28662	187.3
[M]-	310.28772	187.3

Literature stripe

literature stripe

Patent stripe

patents stripe