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

127
Patents

274.1569 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.164176 164.0
[M+Na]+ 297.146118 172.2
[M-H]- 273.149624 169.3
[M+NH4]+ 292.190723 180.6
[M+K]+ 313.120058 170.2
[M+H-H2O]+ 257.154160 157.0
[M+HCOO]- 319.155101 184.7
[M+CH3COO]- 333.170751 202.5
[M+Na-2H]- 295.131566 168.7
[M]+ 274.15635142 170.3
[M]- 274.15744858 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