CID 162591

50542-90-0

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
2
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 174.9
[M+Na]+ 335.16177 188.3
[M+NH4]+ 330.20637 181.8
[M+K]+ 351.13571 180.8
[M-H]- 311.16527 178.0
[M+Na-2H]- 333.14722 178.9
[M]+ 312.17200 177.7
[M]- 312.17310 177.7
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