CID 21676261

Muscomosin

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C=C2C(=C1)CC23COC4=CC(=CC(=C4C3=O)O)O)O
InChI
InChI=1S/C17H14O6/c1-22-13-2-8-6-17(10(8)5-11(13)19)7-23-14-4-9(18)3-12(20)15(14)16(17)21/h2-5,18-20H,6-7H2,1H3
InChIKey
UVAGPWQTXXDQIY-UHFFFAOYSA-N
Compound name
4',5,7-trihydroxy-3'-methoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 164.3
[M+Na]+ 337.06826 173.2
[M-H]- 313.07176 169.5
[M+NH4]+ 332.11286 174.0
[M+K]+ 353.04220 173.9
[M+H-H2O]+ 297.07630 152.8
[M+HCOO]- 359.07724 178.0
[M+CH3COO]- 373.09289 204.8
[M+Na-2H]- 335.05371 170.5
[M]+ 314.07849 175.4
[M]- 314.07959 175.4
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.