CID 117425

16709-50-5

Structural Information

Molecular Formula
C14H16O4
SMILES
C1CCCOC(=O)C2=CC=CC=C2C(=O)OCC1
InChI
InChI=1S/C14H16O4/c15-13-11-7-3-4-8-12(11)14(16)18-10-6-2-1-5-9-17-13/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey
DGMTZMCDDBNVPU-UHFFFAOYSA-N
Compound name
3,10-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-2,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

248.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11214 150.6
[M+Na]+ 271.09408 162.8
[M+NH4]+ 266.13868 157.6
[M+K]+ 287.06802 157.0
[M-H]- 247.09758 155.7
[M+Na-2H]- 269.07953 155.3
[M]+ 248.10431 153.4
[M]- 248.10541 153.4
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

patents stripe