CID 455806

(9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate

Structural Information

Molecular Formula
C18H18O7
SMILES
CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C
InChI
InChI=1S/C18H18O7/c1-9(19)22-16-14-12(25-18(3,4)17(16)23-10(2)20)7-5-11-6-8-13(21)24-15(11)14/h5-8,16-17H,1-4H3
InChIKey
YJOWXMGENDGFDH-UHFFFAOYSA-N
Compound name
(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.10526 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 173.7
[M+Na]+ 369.09448 183.3
[M-H]- 345.09798 181.1
[M+NH4]+ 364.13908 188.7
[M+K]+ 385.06842 184.5
[M+H-H2O]+ 329.10252 166.9
[M+HCOO]- 391.10346 189.8
[M+CH3COO]- 405.11911 213.8
[M+Na-2H]- 367.07993 179.3
[M]+ 346.10471 181.8
[M]- 346.10581 181.8
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.