CID 5494880

Schembl7170109

Structural Information

Molecular Formula
C17H18O4
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2)O
InChI
InChI=1S/C17H18O4/c1-4-5-10-8-14(19)20-13-9-12(18)11-6-7-17(2,3)21-16(11)15(10)13/h6-9,18H,4-5H2,1-3H3
InChIKey
PTXVUDJOJQSVCJ-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

286.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 163.6
[M+Na]+ 309.10972 174.9
[M-H]- 285.11322 170.2
[M+NH4]+ 304.15432 181.1
[M+K]+ 325.08366 173.1
[M+H-H2O]+ 269.11776 157.0
[M+HCOO]- 331.11870 181.1
[M+CH3COO]- 345.13435 201.9
[M+Na-2H]- 307.09517 171.6
[M]+ 286.11995 169.3
[M]- 286.12105 169.3
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

No patent data available for this compound.