CID 5281420

Ostruthin

Structural Information

Molecular Formula
C19H22O3
SMILES
CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C
InChI
InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
InChIKey
INBMTJJPUABOQJ-VGOFMYFVSA-N
Compound name
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

39
Patents

298.1569 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 171.2
[M+Na]+ 321.14612 184.2
[M+NH4]+ 316.19072 177.9
[M+K]+ 337.12006 177.2
[M-H]- 297.14962 173.8
[M+Na-2H]- 319.13157 174.8
[M]+ 298.15635 173.7
[M]- 298.15745 173.7
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