CID 5584010

3-butyl-4,8-dimethyl-7-hydroxy-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C15H18O3
SMILES
CCCCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C
InChI
InChI=1S/C15H18O3/c1-4-5-6-12-9(2)11-7-8-13(16)10(3)14(11)18-15(12)17/h7-8,16H,4-6H2,1-3H3
InChIKey
WBSHKNWGTNMYAF-UHFFFAOYSA-N
Compound name
3-butyl-7-hydroxy-4,8-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 154.2
[M+Na]+ 269.11482 169.4
[M+NH4]+ 264.15942 162.4
[M+K]+ 285.08876 162.4
[M-H]- 245.11832 158.1
[M+Na-2H]- 267.10027 159.4
[M]+ 246.12505 157.6
[M]- 246.12615 157.6
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.