CID 87119

Dicyclohexano-24-crown-8

Structural Information

Molecular Formula
C24H44O8
SMILES
C1CCC2C(C1)OCCOCCOCCOC3CCCCC3OCCOCCOCCO2
InChI
InChI=1S/C24H44O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h21-24H,1-20H2
InChIKey
QMLGNDFKJAFKGZ-UHFFFAOYSA-N
Compound name
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1519
Patents

460.30362 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.31090 203.2
[M+Na]+ 483.29284 198.4
[M-H]- 459.29634 209.2
[M+NH4]+ 478.33744 197.8
[M+K]+ 499.26678 206.6
[M+H-H2O]+ 443.30088 201.7
[M+HCOO]- 505.30182 198.6
[M+CH3COO]- 519.31747 205.4
[M+Na-2H]- 481.27829 202.6
[M]+ 460.30307 190.5
[M]- 460.30417 190.5
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