CID 585779

Benzo-18-crown-6

Structural Information

Molecular Formula
C16H24O6
SMILES
C1COCCOCCOC2=CC=CC=C2OCCOCCO1
InChI
InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2
InChIKey
DSFHXKRFDFROER-UHFFFAOYSA-N
Compound name
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

1690
Patents

312.1573 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16458 167.2
[M+Na]+ 335.14652 178.0
[M+NH4]+ 330.19112 173.0
[M+K]+ 351.12046 174.4
[M-H]- 311.15002 178.0
[M+Na-2H]- 333.13197 170.1
[M]+ 312.15675 171.5
[M]- 312.15785 171.5
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