CID 118397

Brn 1686140

Structural Information

Molecular Formula

C₁₆H₃₂O₈

SMILES

C1COCCOCCOCCOCCOCCOCCOCOC1

InChI

InChI=1S/C16H32O8/c1-2-17-4-5-18-6-7-19-8-9-20-10-11-21-12-13-22-14-15-24-16-23-3-1/h1-16H2

InChIKey

WHLFCESGIBJNGL-UHFFFAOYSA-N

Compound name

1,3,6,9,12,15,18,21-octaoxacyclotetracosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.20972 Da
Monoisotopic Mass: -0.7
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]+	353.21700	180.6
[M+Na]+	375.19894	178.2
[M-H]-	351.20244	186.7
[M+NH4]+	370.24354	177.7
[M+K]+	391.17288	187.9
[M+H-H2O]+	335.20698	180.2
[M+HCOO]-	397.20792	184.4
[M+CH3COO]-	411.22357	186.1
[M+Na-2H]-	373.18439	184.9
[M]+	352.20917	172.5
[M]-	352.21027	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe