CID 6451027

Harziphilone

Structural Information

Molecular Formula
C15H18O4
SMILES
C/C=C/C=C/C1=CC2=C(CO1)C(=O)[C@]([C@@H](C2)O)(C)O
InChI
InChI=1S/C15H18O4/c1-3-4-5-6-11-7-10-8-13(16)15(2,18)14(17)12(10)9-19-11/h3-7,13,16,18H,8-9H2,1-2H3/b4-3+,6-5+/t13-,15-/m1/s1
InChIKey
GFTDIFRKHSPLIX-VNLWOOSYSA-N
Compound name
(6R,7R)-6,7-dihydroxy-7-methyl-3-[(1E,3E)-penta-1,3-dienyl]-5,6-dihydro-1H-isochromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

262.1205 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 158.2
[M+Na]+ 285.10972 166.2
[M-H]- 261.11322 160.7
[M+NH4]+ 280.15432 176.0
[M+K]+ 301.08366 162.7
[M+H-H2O]+ 245.11776 153.3
[M+HCOO]- 307.11870 173.8
[M+CH3COO]- 321.13435 192.0
[M+Na-2H]- 283.09517 162.3
[M]+ 262.11995 157.3
[M]- 262.12105 157.3
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.