CID 501662

Chembl141778

Structural Information

Molecular Formula
C15H20O3
SMILES
CCCCCC1(CC(=O)C2=C(O1)C=C(C=C2)O)C
InChI
InChI=1S/C15H20O3/c1-3-4-5-8-15(2)10-13(17)12-7-6-11(16)9-14(12)18-15/h6-7,9,16H,3-5,8,10H2,1-2H3
InChIKey
QRFAYYPIRFDIBC-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-2-pentyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

248.14125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.2
[M+Na]+ 271.13047 164.0
[M-H]- 247.13397 160.0
[M+NH4]+ 266.17507 175.1
[M+K]+ 287.10441 161.8
[M+H-H2O]+ 231.13851 150.6
[M+HCOO]- 293.13945 174.1
[M+CH3COO]- 307.15510 193.3
[M+Na-2H]- 269.11592 162.1
[M]+ 248.14070 158.1
[M]- 248.14180 158.1
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

No patent data available for this compound.