CID 28557

18-crown-6

Structural Information

Molecular Formula

C₁₂H₂₄O₆

SMILES

C1COCCOCCOCCOCCOCCO1

InChI

InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2

InChIKey

XEZNGIUYQVAUSS-UHFFFAOYSA-N

Compound name

1,4,7,10,13,16-hexaoxacyclooctadecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 643
References: 58498
Patents: 264.1573 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]+	265.16458	158.2
[M+Na]+	287.14652	166.5
[M+NH4]+	282.19112	163.3
[M+K]+	303.12046	164.3
[M-H]-	263.15002	167.7
[M+Na-2H]-	285.13197	160.0
[M]+	264.15675	161.6
[M]-	264.15785	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe