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
2
Annotation Hits

8
References

43
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 171.4
[M+Na]+ 321.14612 178.7
[M-H]- 297.14962 175.1
[M+NH4]+ 316.19072 186.2
[M+K]+ 337.12006 174.7
[M+H-H2O]+ 281.15416 164.7
[M+HCOO]- 343.15510 189.3
[M+CH3COO]- 357.17075 204.1
[M+Na-2H]- 319.13157 173.4
[M]+ 298.15635 174.4
[M]- 298.15745 174.4
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.