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

literature stripe

Patent stripe

patents stripe