CID 11076632

Ethylpentyl methoxychromone

Structural Information

Molecular Formula
C17H22O3
SMILES
CCCCC(CC)C1=CC(=O)C2=C(O1)C=C(C=C2)OC
InChI
InChI=1S/C17H22O3/c1-4-6-7-12(5-2)16-11-15(18)14-9-8-13(19-3)10-17(14)20-16/h8-12H,4-7H2,1-3H3
InChIKey
QTRVIZGMBDEREZ-UHFFFAOYSA-N
Compound name
2-heptan-3-yl-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

274.1569 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16418 163.2
[M+Na]+ 297.14612 177.4
[M+NH4]+ 292.19072 171.2
[M+K]+ 313.12006 170.0
[M-H]- 273.14962 167.1
[M+Na-2H]- 295.13157 168.5
[M]+ 274.15635 166.4
[M]- 274.15745 166.4
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

patents stripe