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

3923
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

literature stripe

Patent stripe

patents stripe