CID 44257379

Erosenone

Structural Information

Molecular Formula
C19H14O7
SMILES
COC1=C(C(=C2C(=C1)OCO2)O)C3COC4=C(C3=O)C=C5C=COC5=C4
InChI
InChI=1S/C19H14O7/c1-22-14-6-15-19(26-8-25-15)18(21)16(14)11-7-24-13-5-12-9(2-3-23-12)4-10(13)17(11)20/h2-6,11,21H,7-8H2,1H3
InChIKey
VTWYRBBCPYEEJM-UHFFFAOYSA-N
Compound name
6-(4-hydroxy-6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07394 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08122 174.5
[M+Na]+ 377.06316 185.5
[M-H]- 353.06666 186.8
[M+NH4]+ 372.10776 188.3
[M+K]+ 393.03710 186.4
[M+H-H2O]+ 337.07120 170.5
[M+HCOO]- 399.07214 190.9
[M+CH3COO]- 413.08779 187.5
[M+Na-2H]- 375.04861 179.0
[M]+ 354.07339 182.9
[M]- 354.07449 182.9
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.