CID 100966704

6-docosyloxan-2-one

Structural Information

Molecular Formula

C₂₇H₅₂O₂

SMILES

CCCCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1

InChI

InChI=1S/C27H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-24-22-25-27(28)29-26/h26H,2-25H2,1H3

InChIKey

RONCAXWVTXWPAM-UHFFFAOYSA-N

Compound name

6-docosyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 408.39673 Da
Monoisotopic Mass: 11.7
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]+	409.404006	215.5
[M+Na]+	431.385948	213.3
[M-H]-	407.389454	215.2
[M+NH4]+	426.430553	224.7
[M+K]+	447.359888	208.8
[M+H-H2O]+	391.393990	206.3
[M+HCOO]-	453.394931	229.2
[M+CH3COO]-	467.410581	230.6
[M+Na-2H]-	429.371396	211.2
[M]+	408.39618142	220.7
[M]-	408.39727858	220.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.