CID 15958528

8,8-dimethyl-2-oxopyrano[6,5-f]chroman-9-yl acetate

Structural Information

Molecular Formula
C16H16O5
SMILES
CC(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C
InChI
InChI=1S/C16H16O5/c1-9(17)19-13-8-11-12(21-16(13,2)3)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3
InChIKey
IQMXFAGTUXKIFK-UHFFFAOYSA-N
Compound name
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 161.0
[M+Na]+ 311.08898 171.0
[M-H]- 287.09248 168.4
[M+NH4]+ 306.13358 178.5
[M+K]+ 327.06292 171.1
[M+H-H2O]+ 271.09702 154.3
[M+HCOO]- 333.09796 178.3
[M+CH3COO]- 347.11361 202.2
[M+Na-2H]- 309.07443 168.8
[M]+ 288.09921 166.3
[M]- 288.10031 166.3
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

No patent data available for this compound.