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

8
Patents

312.17255 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 175.6
[M+Na]+ 335.161768 182.9
[M-H]- 311.165274 180.5
[M+NH4]+ 330.206373 190.5
[M+K]+ 351.135708 179.5
[M+H-H2O]+ 295.169810 168.4
[M+HCOO]- 357.170751 194.6
[M+CH3COO]- 371.186401 209.5
[M+Na-2H]- 333.147216 177.5
[M]+ 312.17200142 180.7
[M]- 312.17309858 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