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

79
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 164.0
[M+Na]+ 297.14612 172.2
[M-H]- 273.14962 169.3
[M+NH4]+ 292.19072 180.6
[M+K]+ 313.12006 170.2
[M+H-H2O]+ 257.15416 157.0
[M+HCOO]- 319.15510 184.7
[M+CH3COO]- 333.17075 202.5
[M+Na-2H]- 295.13157 168.7
[M]+ 274.15635 170.3
[M]- 274.15745 170.3
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