CID 2724803

4'-vinylbenzo-18-crown-6

Structural Information

Molecular Formula
C18H26O6
SMILES
C=CC1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2
InChI
InChI=1S/C18H26O6/c1-2-16-3-4-17-18(15-16)24-14-12-22-10-8-20-6-5-19-7-9-21-11-13-23-17/h2-4,15H,1,5-14H2
InChIKey
WMBFARVSOWVDII-UHFFFAOYSA-N
Compound name
20-ethenyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

73
Patents

338.17294 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18022 178.7
[M+Na]+ 361.16216 181.1
[M-H]- 337.16566 184.6
[M+NH4]+ 356.20676 181.2
[M+K]+ 377.13610 186.6
[M+H-H2O]+ 321.17020 176.5
[M+HCOO]- 383.17114 187.4
[M+CH3COO]- 397.18679 186.5
[M+Na-2H]- 359.14761 183.9
[M]+ 338.17239 174.1
[M]- 338.17349 174.1
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