CID 162591

7-[(3,7-dimethylocta-2,6-dienyl)oxy]-4-methyl-2-benzopyrone

Structural Information

Molecular Formula
C20H24O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC=C(C)CCC=C(C)C
InChI
InChI=1S/C20H24O3/c1-14(2)6-5-7-15(3)10-11-22-17-8-9-18-16(4)12-20(21)23-19(18)13-17/h6,8-10,12-13H,5,7,11H2,1-4H3
InChIKey
PFCHESZMLIVMTC-UHFFFAOYSA-N
Compound name
7-(3,7-dimethylocta-2,6-dienoxy)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4
Patents

312.17255 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17983 175.6
[M+Na]+ 335.16177 182.9
[M-H]- 311.16527 180.5
[M+NH4]+ 330.20637 190.5
[M+K]+ 351.13571 179.5
[M+H-H2O]+ 295.16981 168.4
[M+HCOO]- 357.17075 194.6
[M+CH3COO]- 371.18640 209.5
[M+Na-2H]- 333.14722 177.5
[M]+ 312.17200 180.7
[M]- 312.17310 180.7
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

patents stripe