CID 324243

4'-formylbenzo-15-crown 5-ether

Structural Information

Molecular Formula
C15H20O6
SMILES
C1COCCOC2=C(C=C(C=C2)C=O)OCCOCCO1
InChI
InChI=1S/C15H20O6/c16-12-13-1-2-14-15(11-13)21-10-8-19-6-4-17-3-5-18-7-9-20-14/h1-2,11-12H,3-10H2
InChIKey
MBJIKIAWNPEHOR-UHFFFAOYSA-N
Compound name
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

225
Patents

296.12598 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13326 164.5
[M+Na]+ 319.11520 168.6
[M-H]- 295.11870 169.8
[M+NH4]+ 314.15980 170.4
[M+K]+ 335.08914 173.7
[M+H-H2O]+ 279.12324 162.0
[M+HCOO]- 341.12418 176.6
[M+CH3COO]- 355.13983 174.1
[M+Na-2H]- 317.10065 171.6
[M]+ 296.12543 161.9
[M]- 296.12653 161.9
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.