CID 85955

Dicyclohexano-18-crown-6

Structural Information

Molecular Formula
C20H36O6
SMILES
C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2
InChI
InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2
InChIKey
BBGKDYHZQOSNMU-UHFFFAOYSA-N
Compound name
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

3837
Patents

372.2512 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25848 185.8
[M+Na]+ 395.24042 183.2
[M-H]- 371.24392 190.2
[M+NH4]+ 390.28502 187.1
[M+K]+ 411.21436 189.1
[M+H-H2O]+ 355.24846 183.0
[M+HCOO]- 417.24940 186.2
[M+CH3COO]- 431.26505 190.5
[M+Na-2H]- 393.22587 187.5
[M]+ 372.25065 174.2
[M]- 372.25175 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.