CID 2724805

60835-75-8

Structural Information

Molecular Formula
C17H24O8
SMILES
C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1
InChI
InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)
InChIKey
GFQYJVLOPVAPGJ-UHFFFAOYSA-N
Compound name
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

88
Patents

356.14713 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15441 175.4
[M+Na]+ 379.13635 184.4
[M+NH4]+ 374.18095 179.1
[M+K]+ 395.11029 182.9
[M-H]- 355.13985 184.4
[M+Na-2H]- 377.12180 176.0
[M]+ 356.14658 178.7
[M]- 356.14768 178.7
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