CID 323884

2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol

Structural Information

Molecular Formula
C13H14O4
SMILES
C1C2C(C(C=CO2)O)OC(O1)C3=CC=CC=C3
InChI
InChI=1S/C13H14O4/c14-10-6-7-15-11-8-16-13(17-12(10)11)9-4-2-1-3-5-9/h1-7,10-14H,8H2
InChIKey
XMDUTBYCCVWPLD-UHFFFAOYSA-N
Compound name
2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

234.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 149.5
[M+Na]+ 257.078418 155.5
[M-H]- 233.081924 157.2
[M+NH4]+ 252.123023 163.2
[M+K]+ 273.052358 156.3
[M+H-H2O]+ 217.086460 142.4
[M+HCOO]- 279.087401 164.8
[M+CH3COO]- 293.103051 161.4
[M+Na-2H]- 255.063866 157.7
[M]+ 234.08865142 147.9
[M]- 234.08974858 147.9
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

No patent data available for this compound.