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]+ 235.09648 149.5
[M+Na]+ 257.07842 155.5
[M-H]- 233.08192 157.2
[M+NH4]+ 252.12302 163.2
[M+K]+ 273.05236 156.3
[M+H-H2O]+ 217.08646 142.4
[M+HCOO]- 279.08740 164.8
[M+CH3COO]- 293.10305 161.4
[M+Na-2H]- 255.06387 157.7
[M]+ 234.08865 147.9
[M]- 234.08975 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.