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]+ 355.081216 174.5
[M+Na]+ 377.063158 185.5
[M-H]- 353.066664 186.8
[M+NH4]+ 372.107763 188.3
[M+K]+ 393.037098 186.4
[M+H-H2O]+ 337.071200 170.5
[M+HCOO]- 399.072141 190.9
[M+CH3COO]- 413.087791 187.5
[M+Na-2H]- 375.048606 179.0
[M]+ 354.07339142 182.9
[M]- 354.07448858 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.