CID 86577723

9-(3-methylbut-2-enoxy)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one

Structural Information

Molecular Formula
C15H16O5
SMILES
CC(=CCOC1=C2CCC(=O)OC2=CC3=C1OCO3)C
InChI
InChI=1S/C15H16O5/c1-9(2)5-6-17-14-10-3-4-13(16)20-11(10)7-12-15(14)19-8-18-12/h5,7H,3-4,6,8H2,1-2H3
InChIKey
JARBGDSGCKJVMZ-UHFFFAOYSA-N
Compound name
9-(3-methylbut-2-enoxy)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 160.7
[M+Na]+ 299.08898 168.3
[M-H]- 275.09248 167.7
[M+NH4]+ 294.13358 176.7
[M+K]+ 315.06292 168.9
[M+H-H2O]+ 259.09702 155.5
[M+HCOO]- 321.09796 176.8
[M+CH3COO]- 335.11361 198.9
[M+Na-2H]- 297.07443 165.5
[M]+ 276.09921 164.8
[M]- 276.10031 164.8
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.