CID 13965524

7-[(6-hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C19H22O4
SMILES
CC(=C)C(CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)O
InChI
InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+
InChIKey
OWAQHJLCKMIPKB-GXDHUFHOSA-N
Compound name
7-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.1518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 173.9
[M+Na]+ 337.14102 185.6
[M+NH4]+ 332.18562 179.8
[M+K]+ 353.11496 179.9
[M-H]- 313.14452 175.7
[M+Na-2H]- 335.12647 176.9
[M]+ 314.15125 175.9
[M]- 314.15235 175.9
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

No patent data available for this compound.