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]+ 315.086316 164.3
[M+Na]+ 337.068258 173.2
[M-H]- 313.071764 169.5
[M+NH4]+ 332.112863 174.0
[M+K]+ 353.042198 173.9
[M+H-H2O]+ 297.076300 152.8
[M+HCOO]- 359.077241 178.0
[M+CH3COO]- 373.092891 204.8
[M+Na-2H]- 335.053706 170.5
[M]+ 314.07849142 175.4
[M]- 314.07958858 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.