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]+ 347.112536 173.7
[M+Na]+ 369.094478 183.3
[M-H]- 345.097984 181.1
[M+NH4]+ 364.139083 188.7
[M+K]+ 385.068418 184.5
[M+H-H2O]+ 329.102520 166.9
[M+HCOO]- 391.103461 189.8
[M+CH3COO]- 405.119111 213.8
[M+Na-2H]- 367.079926 179.3
[M]+ 346.10471142 181.8
[M]- 346.10580858 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

literature stripe

Patent stripe

patents stripe