CID 15939984

Schembl7666088

Structural Information

Molecular Formula
C17H12O5
SMILES
CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H12O5/c1-9-2-4-12-11(6-9)15(18)16(19)17(22-12)10-3-5-13-14(7-10)21-8-20-13/h2-7,19H,8H2,1H3
InChIKey
KWAOBWWDFBQFGR-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3-hydroxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

296.06848 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 162.5
[M+Na]+ 319.05770 179.0
[M+NH4]+ 314.10230 171.1
[M+K]+ 335.03164 174.7
[M-H]- 295.06120 170.9
[M+Na-2H]- 317.04315 167.7
[M]+ 296.06793 167.5
[M]- 296.06903 167.5
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